1-amino-1-cyclohexyl-6-methylheptan-3-ol

C14H29NO — CID 22367824

IUPAC1-amino-1-cyclohexyl-6-methylheptan-3-ol
SMILESCC(C)CCC(O)CC(N)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-11(2)8-9-13(16)10-14(15)12-6-4-3-5-7-12/h11-14,16H,3-10,15H2,1-2H3
InChIKeySJNKSJOXLPSIJA-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.08
Rot. Bonds6

About 1-amino-1-cyclohexyl-6-methylheptan-3-ol

1-amino-1-cyclohexyl-6-methylheptan-3-ol (PubChem CID 22367824) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-amino-1-cyclohexyl-6-methylheptan-3-ol.

Molecular Properties

Compound Name1-amino-1-cyclohexyl-6-methylheptan-3-ol
PubChem CID22367824
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-amino-1-cyclohexyl-6-methylheptan-3-ol
SMILESCC(C)CCC(O)CC(N)C1CCCCC1
InChIInChI=1S/C14H29NO/c1-11(2)8-9-13(16)10-14(15)12-6-4-3-5-7-12/h11-14,16H,3-10,15H2,1-2H3
InChIKeySJNKSJOXLPSIJA-UHFFFAOYSA-N
XLogP3.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131096382
4-amino-1,4-dicyclohexylbutan-2-ol;hydrochloride
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1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
1-cyclooctyl-5-methylhexan-1-amine
CID 83162244
1-cyclohexyl-3,4,4-trimethylpentan-1-amine
CID 114981190
1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869689
1-cyclopentyl-7-methyloctane-2,5-diol
CID 103160953
(1-cyclohexyl-4-methylpentyl)cyclohexane
CID 21259623
1-cyclohexyl-3-ethylpentan-1-amine
CID 82920637
1-cyclopentyl-3,5,5-trimethylhexan-1-amine
CID 115778345
(2S,3R,4S)-2-amino-1-cyclohexyl-7-methyloctane-3,4-diol
CID 15042536
1-cyclohexyl-4-methoxy-3-methylbutan-1-amine
CID 105079501

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-cyclohexyl-6-methylheptan-3-ol?
The IUPAC name of 1-amino-1-cyclohexyl-6-methylheptan-3-ol (CID 22367824) is 1-amino-1-cyclohexyl-6-methylheptan-3-ol.
What is the SMILES notation for 1-amino-1-cyclohexyl-6-methylheptan-3-ol?
The canonical SMILES for 1-amino-1-cyclohexyl-6-methylheptan-3-ol is CC(C)CCC(O)CC(N)C1CCCCC1.
What is the InChIKey of 1-amino-1-cyclohexyl-6-methylheptan-3-ol?
The InChIKey is SJNKSJOXLPSIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)8-9-13(16)10-14(15)12-6-4-3-5-7-12/h11-14,16H,3-10,15H2,1-2H3.
What are the key properties of 1-amino-1-cyclohexyl-6-methylheptan-3-ol?
1-amino-1-cyclohexyl-6-methylheptan-3-ol has a molecular weight of 227.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-cyclohexyl-6-methylheptan-3-ol is sourced from PubChem (CID 22367824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).