1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentylpropan-2-ol

C16H29NO — CID 103157664

IUPAC1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentylpropan-2-ol
SMILESOC(CNCCC1=CCCCC1)CC1CCCC1
InChIInChI=1S/C16H29NO/c18-16(12-15-8-4-5-9-15)13-17-11-10-14-6-2-1-3-7-14/h6,15-18H,1-5,7-13H2
InChIKeyNYNIHMNQUHMGTI-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.41
Rot. Bonds7

About 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentylpropan-2-ol

1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentylpropan-2-ol (PubChem CID 103157664) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentylpropan-2-ol
PubChem CID103157664
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentylpropan-2-ol
SMILESOC(CNCCC1=CCCCC1)CC1CCCC1
InChIInChI=1S/C16H29NO/c18-16(12-15-8-4-5-9-15)13-17-11-10-14-6-2-1-3-7-14/h6,15-18H,1-5,7-13H2
InChIKeyNYNIHMNQUHMGTI-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol
CID 20649856
(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol
CID 70227186
(1S)-1-[4-(butylaminomethyl)cyclohexyl]-3-(5-ethylcyclohexen-1-yl)propan-1-ol
CID 70325306
2,3,4,5,5a,6,7,8-octahydro-1H-3-benzazepin-5-ol
CID 123871950
3-Cyclohex-2-en-1-yl-2-(propan-2-ylamino)propan-1-ol
CID 126517201
2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol
CID 134389538
1-[6-[1-[2,6-Di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol
CID 142043044
(E)-10-(2-cyclohex-2-en-1-ylethylamino)-9-methyldec-8-ene-1,5-diol
CID 143259390
5-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidin-3-ol
CID 144175355
(Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol
CID 166998489
(3R,4S)-3-(cyclohepten-1-yl)piperidin-4-ol
CID 11499375
(3S,4S)-3-(cyclohepten-1-yl)piperidin-4-ol
CID 11708221

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentylpropan-2-ol (CID 103157664) is 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentylpropan-2-ol is OC(CNCCC1=CCCCC1)CC1CCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentylpropan-2-ol?
The InChIKey is NYNIHMNQUHMGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c18-16(12-15-8-4-5-9-15)13-17-11-10-14-6-2-1-3-7-14/h6,15-18H,1-5,7-13H2.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentylpropan-2-ol?
1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentylpropan-2-ol has a molecular weight of 251.41 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethylamino]-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103157664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).