1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol

C17H27NO — CID 79415426

IUPAC1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol
SMILESCCCC(CN)C1(O)CCCCC1c1ccccc1
InChIInChI=1S/C17H27NO/c1-2-8-15(13-18)17(19)12-7-6-11-16(17)14-9-4-3-5-10-14/h3-5,9-10,15-16,19H,2,6-8,11-13,18H2,1H3
InChIKeyORILCOVMQMGHPX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.45
Rot. Bonds5

About 1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol

1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol (PubChem CID 79415426) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol
PubChem CID79415426
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol
SMILESCCCC(CN)C1(O)CCCCC1c1ccccc1
InChIInChI=1S/C17H27NO/c1-2-8-15(13-18)17(19)12-7-6-11-16(17)14-9-4-3-5-10-14/h3-5,9-10,15-16,19H,2,6-8,11-13,18H2,1H3
InChIKeyORILCOVMQMGHPX-UHFFFAOYSA-N
XLogP3.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminopentan-2-yl)-2,3-dimethylcyclohexan-1-ol
CID 79416014
cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol
CID 102289513
1-(2-methylbutyl)-2-phenylcyclohexan-1-ol
CID 65147898
2-(1-hydroxy-2-phenylcyclohexyl)-3-methylbutanoic acid
CID 105403267
(1-methoxy-2-phenylcyclohexyl)methanamine
CID 105403899
1-[4-(aminomethyl)oxan-4-yl]-2-phenylcyclohexan-1-ol
CID 79124949
1-(ethoxymethyl)-2-phenylcyclohexan-1-ol
CID 79566677
ethyl 2-phenyl-1-(propylamino)cyclohexane-1-carboxylate
CID 105401874
ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate
CID 70449516
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
1-(2-ethylpyrazol-3-yl)-2-phenylcyclohexan-1-ol
CID 63974813
2-[(1S,2S)-1-hydroxy-2-phenylcyclohexyl]acetic acid
CID 40501081

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol?
The IUPAC name of 1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol (CID 79415426) is 1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol?
The canonical SMILES for 1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol is CCCC(CN)C1(O)CCCCC1c1ccccc1.
What is the InChIKey of 1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol?
The InChIKey is ORILCOVMQMGHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-8-15(13-18)17(19)12-7-6-11-16(17)14-9-4-3-5-10-14/h3-5,9-10,15-16,19H,2,6-8,11-13,18H2,1H3.
What are the key properties of 1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol?
1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 79415426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).