5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol

C18H29NO — CID 103920438

IUPAC5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
SMILESOCCCCCNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29NO/c20-15-9-3-8-14-19-18(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1,4-5,10-11,17-20H,2-3,6-9,12-15H2
InChIKeyOFNRCVVBBGKJSP-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.06
Rot. Bonds8

About 5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol

5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol (PubChem CID 103920438) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
PubChem CID103920438
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
SMILESOCCCCCNC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C18H29NO/c20-15-9-3-8-14-19-18(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1,4-5,10-11,17-20H,2-3,6-9,12-15H2
InChIKeyOFNRCVVBBGKJSP-UHFFFAOYSA-N
XLogP4.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.06
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

4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
CID 60782540
N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516535
N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020638
N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine
CID 43099675
N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine
CID 63421172
5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 103714492
4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol
CID 103917609
4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898654
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950
N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 67118786
2-[[(S)-cyclopentyl(phenyl)methyl]amino]acetonitrile
CID 95619544

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol?
The IUPAC name of 5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol (CID 103920438) is 5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol is OCCCCCNC(c1ccccc1)C1CCCCC1.
What is the InChIKey of 5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol?
The InChIKey is OFNRCVVBBGKJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c20-15-9-3-8-14-19-18(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1,4-5,10-11,17-20H,2-3,6-9,12-15H2.
What are the key properties of 5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol?
5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol is sourced from PubChem (CID 103920438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).