1-cyclopentyl-2-(hexan-3-ylamino)ethanol

C13H27NO — CID 115906323

IUPAC1-cyclopentyl-2-(hexan-3-ylamino)ethanol
SMILESCCCC(CC)NCC(O)C1CCCC1
InChIInChI=1S/C13H27NO/c1-3-7-12(4-2)14-10-13(15)11-8-5-6-9-11/h11-15H,3-10H2,1-2H3
InChIKeyZSQQKBIHZXSMCI-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds7

About 1-cyclopentyl-2-(hexan-3-ylamino)ethanol

1-cyclopentyl-2-(hexan-3-ylamino)ethanol (PubChem CID 115906323) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-(hexan-3-ylamino)ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-(hexan-3-ylamino)ethanol
PubChem CID115906323
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-cyclopentyl-2-(hexan-3-ylamino)ethanol
SMILESCCCC(CC)NCC(O)C1CCCC1
InChIInChI=1S/C13H27NO/c1-3-7-12(4-2)14-10-13(15)11-8-5-6-9-11/h11-15H,3-10H2,1-2H3
InChIKeyZSQQKBIHZXSMCI-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(heptan-4-ylamino)ethanol
CID 115677140
2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol
CID 115906358
1-cyclopropyl-2-(pentan-3-ylamino)ethanol
CID 63294536
2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid
CID 69166197
1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol
CID 115716443
1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol
CID 62119486
(1R)-1-cyclopentylpropan-1-ol;sulfane
CID 161153256
2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol
CID 103157267
ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate
CID 64668765
1-(1-cyclopentylethylamino)pentan-2-ol
CID 115719405
1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol
CID 115716454
1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 67216091

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(hexan-3-ylamino)ethanol?
The IUPAC name of 1-cyclopentyl-2-(hexan-3-ylamino)ethanol (CID 115906323) is 1-cyclopentyl-2-(hexan-3-ylamino)ethanol.
What is the SMILES notation for 1-cyclopentyl-2-(hexan-3-ylamino)ethanol?
The canonical SMILES for 1-cyclopentyl-2-(hexan-3-ylamino)ethanol is CCCC(CC)NCC(O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(hexan-3-ylamino)ethanol?
The InChIKey is ZSQQKBIHZXSMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-7-12(4-2)14-10-13(15)11-8-5-6-9-11/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-(hexan-3-ylamino)ethanol?
1-cyclopentyl-2-(hexan-3-ylamino)ethanol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(hexan-3-ylamino)ethanol is sourced from PubChem (CID 115906323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).