[1-(hexylamino)cyclohexyl]methanol

C13H27NO — CID 62519893

IUPAC[1-(hexylamino)cyclohexyl]methanol
SMILESCCCCCCNC1(CO)CCCCC1
InChIInChI=1S/C13H27NO/c1-2-3-4-8-11-14-13(12-15)9-6-5-7-10-13/h14-15H,2-12H2,1H3
InChIKeyYNRWSWXEIQTTGD-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.85
Rot. Bonds7

About [1-(hexylamino)cyclohexyl]methanol

[1-(hexylamino)cyclohexyl]methanol (PubChem CID 62519893) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [1-(hexylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(hexylamino)cyclohexyl]methanol
PubChem CID62519893
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[1-(hexylamino)cyclohexyl]methanol
SMILESCCCCCCNC1(CO)CCCCC1
InChIInChI=1S/C13H27NO/c1-2-3-4-8-11-14-13(12-15)9-6-5-7-10-13/h14-15H,2-12H2,1H3
InChIKeyYNRWSWXEIQTTGD-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-(hexylamino)cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(butylamino)cyclohexyl]methanol
CID 62520970
1-(chloromethyl)-N-decylcyclohexan-1-amine
CID 65024500
[4-methyl-1-(octylamino)cyclohexyl]methanol
CID 63476632
[1-(heptylamino)-4-methylcyclohexyl]methanol
CID 55086742
[1-(2-methylsulfanylethylamino)cyclohexyl]methanol
CID 115909619
N-butyl-1-ethylcyclohexan-1-amine
CID 163975014
[1-(hept-6-enylamino)cyclohexyl]methanol
CID 107006791
[1-(3-fluoropropylamino)cyclohexyl]methanol
CID 81106456
N-decyl-1-methylcyclohexan-1-amine
CID 63491392
[1-(2-ethoxyethylamino)cyclohexyl]methanol
CID 62521886
6-[(1-ethylcyclobutyl)amino]hexan-1-ol
CID 107703649
[1-(2-fluoroethylamino)cyclohexyl]methanol
CID 80694044

Frequently Asked Questions

What is the IUPAC name of [1-(hexylamino)cyclohexyl]methanol?
The IUPAC name of [1-(hexylamino)cyclohexyl]methanol (CID 62519893) is [1-(hexylamino)cyclohexyl]methanol.
What is the SMILES notation for [1-(hexylamino)cyclohexyl]methanol?
The canonical SMILES for [1-(hexylamino)cyclohexyl]methanol is CCCCCCNC1(CO)CCCCC1.
What is the InChIKey of [1-(hexylamino)cyclohexyl]methanol?
The InChIKey is YNRWSWXEIQTTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-2-3-4-8-11-14-13(12-15)9-6-5-7-10-13/h14-15H,2-12H2,1H3.
What are the key properties of [1-(hexylamino)cyclohexyl]methanol?
[1-(hexylamino)cyclohexyl]methanol has a molecular weight of 213.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hexylamino)cyclohexyl]methanol is sourced from PubChem (CID 62519893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).