3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane

C100H217N11O9S — CID 158481762

IUPAC3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane
SMILESCC(C)C.CC(C)CC(C)(C)C.CC(C)CC(C)C.CC(C)CCC1CC1.CC(C)N1CC(O)C1.CC(C)NC(=O)CCN(C)C.CC(C)NC(=O)CCN1CCCCC1.CC(C)NC(=O)CCN1CCOCC1.CC(C)NC(=O)NC(C)C.CC(C)OC1CCC1.CC(C)OC1CCCC1.CCCC(C)C.CCNC(=O)NC(C)C.CSC(C)C
InChIInChI=1S/C11H22N2O.C10H20N2O2.C8H18N2O.C8H16O.C8H16.C8H18.C7H16N2O.C7H14O.C7H16.C6H14N2O.C6H13NO.C6H14.C4H10S.C4H10/c1-10(2)12-11(14)6-9-13-7-4-3-5-8-13;1-9(2)11-10(13)3-4-12-5-7-14-8-6-12;1-7(2)9-8(11)5-6-10(3)4;1-7(2)9-8-5-3-4-6-8;1-7(2)3-4-8-5-6-8;1-7(2)6-8(3,4)5;1-5(2)8-7(10)9-6(3)4;1-6(2)8-7-4-3-5-7;1-6(2)5-7(3)4;1-4-7-6(9)8-5(2)3;1-5(2)7-3-6(8)4-7;1-4-5-6(2)3;1-4(2)5-3;1-4(2)3/h10H,3-9H2,1-2H3,(H,12,14);9H,3-8H2,1-2H3,(H,11,13);7H,5-6H2,1-4H3,(H,9,11);7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;5-6H,1-4H3,(H2,8,9,10);6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;5H,4H2,1-3H3,(H2,7,8,9);5-6,8H,3-4H2,1-2H3;6H,4-5H2,1-3H3;4H,1-3H3;4H,1-3H3
InChIKeyHHPHVHMAWJVMGC-UHFFFAOYSA-N
MW1749.97 g/mol
LogP22.75
Rot. Bonds30

About 3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane

3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane (PubChem CID 158481762) has the molecular formula C100H217N11O9S and a molecular weight of 1749.97 g/mol. Its IUPAC name is 3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane.

Molecular Properties

Compound Name3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane
PubChem CID158481762
Molecular FormulaC100H217N11O9S
Molecular Weight1749.97 g/mol
Exact Mass1748.66
IUPAC Name3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane
SMILESCC(C)C.CC(C)CC(C)(C)C.CC(C)CC(C)C.CC(C)CCC1CC1.CC(C)N1CC(O)C1.CC(C)NC(=O)CCN(C)C.CC(C)NC(=O)CCN1CCCCC1.CC(C)NC(=O)CCN1CCOCC1.CC(C)NC(=O)NC(C)C.CC(C)OC1CCC1.CC(C)OC1CCCC1.CCCC(C)C.CCNC(=O)NC(C)C.CSC(C)C
InChIInChI=1S/C11H22N2O.C10H20N2O2.C8H18N2O.C8H16O.C8H16.C8H18.C7H16N2O.C7H14O.C7H16.C6H14N2O.C6H13NO.C6H14.C4H10S.C4H10/c1-10(2)12-11(14)6-9-13-7-4-3-5-8-13;1-9(2)11-10(13)3-4-12-5-7-14-8-6-12;1-7(2)9-8(11)5-6-10(3)4;1-7(2)9-8-5-3-4-6-8;1-7(2)3-4-8-5-6-8;1-7(2)6-8(3,4)5;1-5(2)8-7(10)9-6(3)4;1-6(2)8-7-4-3-5-7;1-6(2)5-7(3)4;1-4-7-6(9)8-5(2)3;1-5(2)7-3-6(8)4-7;1-4-5-6(2)3;1-4(2)5-3;1-4(2)3/h10H,3-9H2,1-2H3,(H,12,14);9H,3-8H2,1-2H3,(H,11,13);7H,5-6H2,1-4H3,(H,9,11);7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;5-6H,1-4H3,(H2,8,9,10);6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;5H,4H2,1-3H3,(H2,7,8,9);5-6,8H,3-4H2,1-2H3;6H,4-5H2,1-3H3;4H,1-3H3;4H,1-3H3
InChIKeyHHPHVHMAWJVMGC-UHFFFAOYSA-N
XLogP22.75
TPSA230.44 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001749.97
LogP ≤ 522.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane with MolForge

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Related Compounds

3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid
CID 62627528
2-[3-(azepan-1-yl)propanoylamino]-4-methylpentanoic acid
CID 52983772
4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane
CID 155184385
N,N-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine
CID 176932414
tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate
CID 56800818
1-chloro-3-propan-2-ylcyclobutane;2,3-dimethylbutane;2,4-dimethylpentane;2-methylbutane;3-methylbutan-1-ol;2-methylhexane;3-methyl-1-methylsulfonylbutane;2-methylpentane;1-methyl-4-propan-2-ylpiperidine;1-methylsulfonyl-4-propan-2-ylpiperidine;propan-2-ylcyclobutane;3-propan-2-ylcyclobutan-1-ol;bis(propan-2-ylcyclohexane);propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yloxane;3-propan-2-yloxetane;4-propan-2-ylpiperidine;1-(4-propan-2-ylpiperidin-1-yl)ethanone;N,N,3-trimethylbutan-1-amine;2,2,3-trimethylbutane;2,2,4-trimethylpentane;N,N,2-trimethylpropan-1-amine
CID 167613693
3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111187811
2-(dimethylamino)ethyl 3-morpholin-4-ylpropanoate
CID 21449218
2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]hexan-1-one
CID 122157670
4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane
CID 167088937
N-propan-2-yl-3-[4-(propylamino)piperidin-1-yl]propanamide
CID 62624983
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798977

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane?
The IUPAC name of 3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane (CID 158481762) is 3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane.
What is the SMILES notation for 3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane?
The canonical SMILES for 3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane is CC(C)C.CC(C)CC(C)(C)C.CC(C)CC(C)C.CC(C)CCC1CC1.CC(C)N1CC(O)C1.CC(C)NC(=O)CCN(C)C.CC(C)NC(=O)CCN1CCCCC1.CC(C)NC(=O)CCN1CCOCC1.CC(C)NC(=O)NC(C)C.CC(C)OC1CCC1.CC(C)OC1CCCC1.CCCC(C)C.CCNC(=O)NC(C)C.CSC(C)C.
What is the InChIKey of 3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane?
The InChIKey is HHPHVHMAWJVMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C10H20N2O2.C8H18N2O.C8H16O.C8H16.C8H18.C7H16N2O.C7H14O.C7H16.C6H14N2O.C6H13NO.C6H14.C4H10S.C4H10/c1-10(2)12-11(14)6-9-13-7-4-3-5-8-13;1-9(2)11-10(13)3-4-12-5-7-14-8-6-12;1-7(2)9-8(11)5-6-10(3)4;1-7(2)9-8-5-3-4-6-8;1-7(2)3-4-8-5-6-8;1-7(2)6-8(3,4)5;1-5(2)8-7(10)9-6(3)4;1-6(2)8-7-4-3-5-7;1-6(2)5-7(3)4;1-4-7-6(9)8-5(2)3;1-5(2)7-3-6(8)4-7;1-4-5-6(2)3;1-4(2)5-3;1-4(2)3/h10H,3-9H2,1-2H3,(H,12,14);9H,3-8H2,1-2H3,(H,11,13);7H,5-6H2,1-4H3,(H,9,11);7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;5-6H,1-4H3,(H2,8,9,10);6-7H,3-5H2,1-2H3;6-7H,5H2,1-4H3;5H,4H2,1-3H3,(H2,7,8,9);5-6,8H,3-4H2,1-2H3;6H,4-5H2,1-3H3;4H,1-3H3;4H,1-3H3.
What are the key properties of 3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane?
3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane has a molecular weight of 1749.97 g/mol, XLogP of 22.75, 30 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-propan-2-ylpropanamide;2,4-dimethylpentane;1,3-di(propan-2-yl)urea;1-ethyl-3-propan-2-ylurea;3-methylbutylcyclopropane;2-methylpentane;2-methylpropane;2-methylsulfanylpropane;3-morpholin-4-yl-N-propan-2-ylpropanamide;3-piperidin-1-yl-N-propan-2-ylpropanamide;1-propan-2-ylazetidin-3-ol;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;2,2,4-trimethylpentane is sourced from PubChem (CID 158481762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).