[2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol

C16H26N2O — CID 106359972

IUPAC[2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol
SMILESCC(c1ccccc1)C(CN)NC1CCCC1CO
InChIInChI=1S/C16H26N2O/c1-12(13-6-3-2-4-7-13)16(10-17)18-15-9-5-8-14(15)11-19/h2-4,6-7,12,14-16,18-19H,5,8-11,17H2,1H3
InChIKeyKVBYHAFXIKILMW-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.87
Rot. Bonds6

About [2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol

[2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol (PubChem CID 106359972) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol
PubChem CID106359972
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol
SMILESCC(c1ccccc1)C(CN)NC1CCCC1CO
InChIInChI=1S/C16H26N2O/c1-12(13-6-3-2-4-7-13)16(10-17)18-15-9-5-8-14(15)11-19/h2-4,6-7,12,14-16,18-19H,5,8-11,17H2,1H3
InChIKeyKVBYHAFXIKILMW-UHFFFAOYSA-N
XLogP1.87
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 113261894
[2-[[cyclopropyl(phenyl)methyl]amino]cyclohexyl]methanol
CID 106359819
2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid
CID 114178847
[2-[[2-amino-1-[4-(2-methylpropyl)phenyl]ethyl]amino]cyclopentyl]methanol
CID 106359978
[2-[[2-amino-1-(2-fluorophenyl)ethyl]amino]cyclopentyl]methanol
CID 114178543
2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol
CID 113383805
[2-(2-methylpentan-3-ylamino)cyclopentyl]methanol
CID 115723783
[2-[(2-amino-1-naphthalen-1-ylethyl)amino]cyclopentyl]methanol
CID 106360045
trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 45095253
2-(cyclopentylamino)-3-phenylbutan-1-ol
CID 61309786
[2-[(2-amino-1-thiophen-2-ylethyl)amino]cyclopentyl]methanol
CID 106360158
[2-[1-(4-ethylphenyl)ethylamino]cyclopentyl]methanol
CID 103786035

Frequently Asked Questions

What is the IUPAC name of [2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol?
The IUPAC name of [2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol (CID 106359972) is [2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol is CC(c1ccccc1)C(CN)NC1CCCC1CO.
What is the InChIKey of [2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol?
The InChIKey is KVBYHAFXIKILMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(13-6-3-2-4-7-13)16(10-17)18-15-9-5-8-14(15)11-19/h2-4,6-7,12,14-16,18-19H,5,8-11,17H2,1H3.
What are the key properties of [2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol?
[2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol has a molecular weight of 262.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-amino-3-phenylbutan-2-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 106359972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).