4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol

C40H84N6O5 — CID 158251153

IUPAC4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol
SMILESCC(C)N1CC(CO)C1.CC(C)N1CCCC(C)(O)CC1.CC(C)N1CCCC1CO.CC(C)N1CCNC(=O)C1.CC1CN(C(C)C)CC1O
InChIInChI=1S/C10H21NO.2C8H17NO.C7H14N2O.C7H15NO/c1-9(2)11-7-4-5-10(3,12)6-8-11;1-6(2)9-4-7(3)8(10)5-9;1-7(2)9-5-3-4-8(9)6-10;1-6(2)9-4-3-8-7(10)5-9;1-6(2)8-3-7(4-8)5-9/h9,12H,4-8H2,1-3H3;6-8,10H,4-5H2,1-3H3;7-8,10H,3-6H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);6-7,9H,3-5H2,1-2H3
InChIKeyGGSOGPVMCXUGDX-UHFFFAOYSA-N
MW729.15 g/mol
LogP3.34
Rot. Bonds7

About 4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol

4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol (PubChem CID 158251153) has the molecular formula C40H84N6O5 and a molecular weight of 729.15 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol
PubChem CID158251153
Molecular FormulaC40H84N6O5
Molecular Weight729.15 g/mol
Exact Mass728.65
IUPAC Name4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol
SMILESCC(C)N1CC(CO)C1.CC(C)N1CCCC(C)(O)CC1.CC(C)N1CCCC1CO.CC(C)N1CCNC(=O)C1.CC1CN(C(C)C)CC1O
InChIInChI=1S/C10H21NO.2C8H17NO.C7H14N2O.C7H15NO/c1-9(2)11-7-4-5-10(3,12)6-8-11;1-6(2)9-4-7(3)8(10)5-9;1-7(2)9-5-3-4-8(9)6-10;1-6(2)9-4-3-8-7(10)5-9;1-6(2)8-3-7(4-8)5-9/h9,12H,4-8H2,1-3H3;6-8,10H,4-5H2,1-3H3;7-8,10H,3-6H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);6-7,9H,3-5H2,1-2H3
InChIKeyGGSOGPVMCXUGDX-UHFFFAOYSA-N
XLogP3.34
TPSA126.22 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500729.15
LogP ≤ 53.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol with MolForge

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Related Compounds

N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;2,2-dimethyl-1-propan-2-ylpyrrolidine;3,4-dimethyl-1-propan-2-ylpyrrolidine;3-ethyl-1-propan-2-ylazetidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;3-methoxy-3-methyl-1-propan-2-ylazetidine;3-(methoxymethyl)-4-propan-2-ylmorpholine;4-(methoxymethyl)-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidin-3-ol;1-methyl-4-propan-2-ylcycloheptan-1-ol;3-methyl-4-propan-2-ylmorpholine;4-methyl-1-propan-2-ylpiperidin-4-ol;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpiperidin-4-yl)methanol;(1-propan-2-ylpyrrolidin-2-yl)methanol;1-propan-2-yl-3-(trifluoromethyl)piperazine
CID 161270957
3-oxo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide
CID 127287267
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
4-(1-cyclopropylpropan-2-yl)piperazin-2-one
CID 130676033
ethane;(1-propan-2-ylazetidin-3-yl)methanol
CID 156813140
bis(3-methyl-1-propan-2-ylazetidin-3-ol);bis((3S)-3-methyl-1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidine;bis((3S)-1-propan-2-ylpyrrolidin-3-ol)
CID 167683219
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62015297
4-methyl-1-pentan-2-ylazepan-4-ol
CID 107886062
[1-[1-(4-phenoxy-1-propan-2-ylpyrrolidin-3-yl)propan-2-yl]pyrrolidin-2-yl]methanol
CID 130205387
methane;4-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;propan-2-ylcyclopentane;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-2-yl)methanol
CID 163970751
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol?
The IUPAC name of 4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol (CID 158251153) is 4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol.
What is the SMILES notation for 4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol?
The canonical SMILES for 4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol is CC(C)N1CC(CO)C1.CC(C)N1CCCC(C)(O)CC1.CC(C)N1CCCC1CO.CC(C)N1CCNC(=O)C1.CC1CN(C(C)C)CC1O.
What is the InChIKey of 4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol?
The InChIKey is GGSOGPVMCXUGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.2C8H17NO.C7H14N2O.C7H15NO/c1-9(2)11-7-4-5-10(3,12)6-8-11;1-6(2)9-4-7(3)8(10)5-9;1-7(2)9-5-3-4-8(9)6-10;1-6(2)9-4-3-8-7(10)5-9;1-6(2)8-3-7(4-8)5-9/h9,12H,4-8H2,1-3H3;6-8,10H,4-5H2,1-3H3;7-8,10H,3-6H2,1-2H3;6H,3-5H2,1-2H3,(H,8,10);6-7,9H,3-5H2,1-2H3.
What are the key properties of 4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol?
4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol has a molecular weight of 729.15 g/mol, XLogP of 3.34, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylazepan-4-ol;4-methyl-1-propan-2-ylpyrrolidin-3-ol;(1-propan-2-ylazetidin-3-yl)methanol;4-propan-2-ylpiperazin-2-one;(1-propan-2-ylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 158251153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).