2-(cyclohexylamino)-2-methylheptan-1-ol

C14H29NO — CID 80558659

IUPAC2-(cyclohexylamino)-2-methylheptan-1-ol
SMILESCCCCCC(C)(CO)NC1CCCCC1
InChIInChI=1S/C14H29NO/c1-3-4-8-11-14(2,12-16)15-13-9-6-5-7-10-13/h13,15-16H,3-12H2,1-2H3
InChIKeyJJRJHYFQHKZRNI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.24
Rot. Bonds7

About 2-(cyclohexylamino)-2-methylheptan-1-ol

2-(cyclohexylamino)-2-methylheptan-1-ol (PubChem CID 80558659) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-methylheptan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-methylheptan-1-ol
PubChem CID80558659
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(cyclohexylamino)-2-methylheptan-1-ol
SMILESCCCCCC(C)(CO)NC1CCCCC1
InChIInChI=1S/C14H29NO/c1-3-4-8-11-14(2,12-16)15-13-9-6-5-7-10-13/h13,15-16H,3-12H2,1-2H3
InChIKeyJJRJHYFQHKZRNI-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-methylundecan-6-yl)cyclopentanamine
CID 134356805
N-(4-methyldecan-4-yl)cyclohexanamine
CID 139320113
2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol
CID 64827354
5-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64808099
N-(6-methyltridecan-6-yl)piperidin-4-amine
CID 175625026
4-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64818802
2-(cycloheptylamino)-2-methylnonanamide
CID 60998647
2-(cyclopropylamino)-6-[ethyl(propyl)amino]-2-methylhexan-1-ol
CID 64797663
6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 66322521
2-methyl-2-[(4-methylcyclohexyl)amino]pentan-1-ol
CID 115907238
6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64806770
2-(cyclopropylamino)-2-methyl-6-(2-methylpiperidin-1-yl)hexan-1-ol
CID 64796277

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-methylheptan-1-ol?
The IUPAC name of 2-(cyclohexylamino)-2-methylheptan-1-ol (CID 80558659) is 2-(cyclohexylamino)-2-methylheptan-1-ol.
What is the SMILES notation for 2-(cyclohexylamino)-2-methylheptan-1-ol?
The canonical SMILES for 2-(cyclohexylamino)-2-methylheptan-1-ol is CCCCCC(C)(CO)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-2-methylheptan-1-ol?
The InChIKey is JJRJHYFQHKZRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-4-8-11-14(2,12-16)15-13-9-6-5-7-10-13/h13,15-16H,3-12H2,1-2H3.
What are the key properties of 2-(cyclohexylamino)-2-methylheptan-1-ol?
2-(cyclohexylamino)-2-methylheptan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-methylheptan-1-ol is sourced from PubChem (CID 80558659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).