3-[(2-hexylcyclopentyl)amino]propan-1-ol

C14H29NO — CID 115705219

IUPAC3-[(2-hexylcyclopentyl)amino]propan-1-ol
SMILESCCCCCCC1CCCC1NCCCO
InChIInChI=1S/C14H29NO/c1-2-3-4-5-8-13-9-6-10-14(13)15-11-7-12-16/h13-16H,2-12H2,1H3
InChIKeyWPYUVNMPHOVLFO-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.10
Rot. Bonds9

About 3-[(2-hexylcyclopentyl)amino]propan-1-ol

3-[(2-hexylcyclopentyl)amino]propan-1-ol (PubChem CID 115705219) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-[(2-hexylcyclopentyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-hexylcyclopentyl)amino]propan-1-ol
PubChem CID115705219
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-[(2-hexylcyclopentyl)amino]propan-1-ol
SMILESCCCCCCC1CCCC1NCCCO
InChIInChI=1S/C14H29NO/c1-2-3-4-5-8-13-9-6-10-14(13)15-11-7-12-16/h13-16H,2-12H2,1H3
InChIKeyWPYUVNMPHOVLFO-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.10
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

N-ethyl-2-octylcyclopentan-1-amine
CID 63399748
7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid
CID 10041163
N,N'-bis(2-hexylcyclohexyl)methanediamine
CID 175881846
2-(aminomethyl)-N-octylcyclopentan-1-amine
CID 115566940
2-ethyl-N-heptylcyclohexan-1-amine
CID 43709374
[(1R,2R)-2-heptylcyclopentyl]hydrazine
CID 124537502
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
N-methyl-2-octylcyclohexan-1-amine
CID 63400173
(1S,2S,3R)-2-(hexylamino)-3-tetradecylcyclohexan-1-ol
CID 24936442
butan-1-ol;2-butyl-N-methylcycloheptan-1-amine
CID 71071246

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hexylcyclopentyl)amino]propan-1-ol?
The IUPAC name of 3-[(2-hexylcyclopentyl)amino]propan-1-ol (CID 115705219) is 3-[(2-hexylcyclopentyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-hexylcyclopentyl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-hexylcyclopentyl)amino]propan-1-ol is CCCCCCC1CCCC1NCCCO.
What is the InChIKey of 3-[(2-hexylcyclopentyl)amino]propan-1-ol?
The InChIKey is WPYUVNMPHOVLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-2-3-4-5-8-13-9-6-10-14(13)15-11-7-12-16/h13-16H,2-12H2,1H3.
What are the key properties of 3-[(2-hexylcyclopentyl)amino]propan-1-ol?
3-[(2-hexylcyclopentyl)amino]propan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hexylcyclopentyl)amino]propan-1-ol is sourced from PubChem (CID 115705219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).