2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol

C14H31NO — CID 115719490

IUPAC2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol
SMILESCCCC(C)(O)CNC(C)CCCC(C)C
InChIInChI=1S/C14H31NO/c1-6-10-14(5,16)11-15-13(4)9-7-8-12(2)3/h12-13,15-16H,6-11H2,1-5H3
InChIKeyLTJRIRVKHYMZNX-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.34
Rot. Bonds9

About 2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol

2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol (PubChem CID 115719490) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol
PubChem CID115719490
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol
SMILESCCCC(C)(O)CNC(C)CCCC(C)C
InChIInChI=1S/C14H31NO/c1-6-10-14(5,16)11-15-13(4)9-7-8-12(2)3/h12-13,15-16H,6-11H2,1-5H3
InChIKeyLTJRIRVKHYMZNX-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol
CID 83168520
2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729692
1-(heptan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 115722418
2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol
CID 98118384
1-N-hexan-2-yl-2-methylpentane-1,2-diamine
CID 62199149
2-methyl-1-(pentan-2-ylamino)propan-2-ol
CID 60885275
2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
CID 83168632
10-methyl-4-propylundecan-4-ol
CID 156689332
1-(1-hydroxypropan-2-ylamino)-2-methylbutan-2-ol
CID 114492806
2-amino-2-methyl-N-(6-methylheptan-2-yl)pentanamide;hydrochloride
CID 119673366
1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol
CID 115719513
(2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine
CID 38989018

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol?
The IUPAC name of 2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol (CID 115719490) is 2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol.
What is the SMILES notation for 2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol?
The canonical SMILES for 2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol is CCCC(C)(O)CNC(C)CCCC(C)C.
What is the InChIKey of 2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol?
The InChIKey is LTJRIRVKHYMZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-10-14(5,16)11-15-13(4)9-7-8-12(2)3/h12-13,15-16H,6-11H2,1-5H3.
What are the key properties of 2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol?
2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol has a molecular weight of 229.41 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol is sourced from PubChem (CID 115719490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).