3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol

C31H71NO — CID 143524592

IUPAC3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol
SMILESCC.CC(C)C(C)NC(C)C(C)C(C)C.CCC(C)CCC(C)O.CCCCC(C)(C)CC
InChIInChI=1S/C12H27N.C9H20.C8H18O.C2H6/c1-8(2)10(5)12(7)13-11(6)9(3)4;1-5-7-8-9(3,4)6-2;1-4-7(2)5-6-8(3)9;1-2/h8-13H,1-7H3;5-8H2,1-4H3;7-9H,4-6H2,1-3H3;1-2H3
InChIKeyWLWFLRXPTFQXKL-UHFFFAOYSA-N
MW473.92 g/mol
LogP10.13
Rot. Bonds13

About 3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol

3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol (PubChem CID 143524592) has the molecular formula C31H71NO and a molecular weight of 473.92 g/mol. Its IUPAC name is 3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol.

Molecular Properties

Compound Name3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol
PubChem CID143524592
Molecular FormulaC31H71NO
Molecular Weight473.92 g/mol
Exact Mass473.55
IUPAC Name3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol
SMILESCC.CC(C)C(C)NC(C)C(C)C(C)C.CCC(C)CCC(C)O.CCCCC(C)(C)CC
InChIInChI=1S/C12H27N.C9H20.C8H18O.C2H6/c1-8(2)10(5)12(7)13-11(6)9(3)4;1-5-7-8-9(3,4)6-2;1-4-7(2)5-6-8(3)9;1-2/h8-13H,1-7H3;5-8H2,1-4H3;7-9H,4-6H2,1-3H3;1-2H3
InChIKeyWLWFLRXPTFQXKL-UHFFFAOYSA-N
XLogP10.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.92
LogP ≤ 510.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol with MolForge

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Related Compounds

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3,3,4-Trimethyl-6-(4-methylpentan-2-ylamino)heptan-1-ol
CID 89195761
(4R,5R)-4-tert-butyl-5,10-dimethyl-1-(methylamino)dodecan-2-ol
CID 89285662
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CID 90969879
(4S)-3-methyl-10-(propan-2-ylamino)-4-propyldodecan-6-ol
CID 118630658
(3S)-3-[3-(2,2-dimethylpropylamino)propyl]-5,5-dimethylhexan-1-ol
CID 118887446
(3R)-3-[3-(2,2-dimethylpropylamino)propyl]-5,5-dimethylhexan-1-ol
CID 118887453
4-Methyl-10-(2-methylbutan-2-ylamino)decan-5-ol
CID 123297413
7,9-Diethyl-5-(2-hydroxyethylamino)-2,2,4,4,7,9-hexamethylundecan-6-ol
CID 123496416
6-(2-Hydroxyethylamino)-2,2,4,4,7,7,9,9-octamethyldecan-5-ol
CID 123578525
3-Ethyl-1-(ethylamino)-3-propan-2-ylheptan-2-ol
CID 123990768

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol?
The IUPAC name of 3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol (CID 143524592) is 3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol.
What is the SMILES notation for 3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol?
The canonical SMILES for 3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol is CC.CC(C)C(C)NC(C)C(C)C(C)C.CCC(C)CCC(C)O.CCCCC(C)(C)CC.
What is the InChIKey of 3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol?
The InChIKey is WLWFLRXPTFQXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C9H20.C8H18O.C2H6/c1-8(2)10(5)12(7)13-11(6)9(3)4;1-5-7-8-9(3,4)6-2;1-4-7(2)5-6-8(3)9;1-2/h8-13H,1-7H3;5-8H2,1-4H3;7-9H,4-6H2,1-3H3;1-2H3.
What are the key properties of 3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol?
3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol has a molecular weight of 473.92 g/mol, XLogP of 10.13, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylheptane;3,4-dimethyl-N-(3-methylbutan-2-yl)pentan-2-amine;ethane;5-methylheptan-2-ol is sourced from PubChem (CID 143524592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).