3-[(2-phenylcyclohexyl)amino]pentan-1-ol

C17H27NO — CID 115723129

IUPAC3-[(2-phenylcyclohexyl)amino]pentan-1-ol
SMILESCCC(CCO)NC1CCCCC1c1ccccc1
InChIInChI=1S/C17H27NO/c1-2-15(12-13-19)18-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h3-5,8-9,15-19H,2,6-7,10-13H2,1H3
InChIKeyLCBSRBAUHKCLKF-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.46
Rot. Bonds6

About 3-[(2-phenylcyclohexyl)amino]pentan-1-ol

3-[(2-phenylcyclohexyl)amino]pentan-1-ol (PubChem CID 115723129) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[(2-phenylcyclohexyl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-[(2-phenylcyclohexyl)amino]pentan-1-ol
PubChem CID115723129
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-[(2-phenylcyclohexyl)amino]pentan-1-ol
SMILESCCC(CCO)NC1CCCCC1c1ccccc1
InChIInChI=1S/C17H27NO/c1-2-15(12-13-19)18-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h3-5,8-9,15-19H,2,6-7,10-13H2,1H3
InChIKeyLCBSRBAUHKCLKF-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-octan-4-yl-2-phenylcyclohexan-1-amine
CID 106023658
N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine
CID 106227111
2-ethyl-2-[[(2-phenylcyclohexyl)amino]methyl]butan-1-ol
CID 106252164
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-but-3-en-2-yl-2-phenylcyclohexan-1-amine
CID 115908185
1-(2-phenylcyclohexyl)propan-1-ol
CID 105403860
2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine
CID 43784317
3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105347
methyl (2S)-3-methyl-2-[(2-phenylcyclohexyl)amino]butanoate
CID 43776131
4-[(2-phenylcyclopentyl)amino]butan-1-ol
CID 166226352
2-methyl-N-[(1R)-2-phenylcyclohexyl]propanamide
CID 170769324
trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
CID 159407891

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylcyclohexyl)amino]pentan-1-ol?
The IUPAC name of 3-[(2-phenylcyclohexyl)amino]pentan-1-ol (CID 115723129) is 3-[(2-phenylcyclohexyl)amino]pentan-1-ol.
What is the SMILES notation for 3-[(2-phenylcyclohexyl)amino]pentan-1-ol?
The canonical SMILES for 3-[(2-phenylcyclohexyl)amino]pentan-1-ol is CCC(CCO)NC1CCCCC1c1ccccc1.
What is the InChIKey of 3-[(2-phenylcyclohexyl)amino]pentan-1-ol?
The InChIKey is LCBSRBAUHKCLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-15(12-13-19)18-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h3-5,8-9,15-19H,2,6-7,10-13H2,1H3.
What are the key properties of 3-[(2-phenylcyclohexyl)amino]pentan-1-ol?
3-[(2-phenylcyclohexyl)amino]pentan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylcyclohexyl)amino]pentan-1-ol is sourced from PubChem (CID 115723129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).