1-(cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol

C15H27NO — CID 103157616

IUPAC1-(cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol
SMILESOC(CNCC1CC=CCC1)CC1CCCC1
InChIInChI=1S/C15H27NO/c17-15(10-13-6-4-5-7-13)12-16-11-14-8-2-1-3-9-14/h1-2,13-17H,3-12H2
InChIKeyITCMZGKMQPNERK-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.87
Rot. Bonds6

About 1-(cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol

1-(cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol (PubChem CID 103157616) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol
PubChem CID103157616
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol
SMILESOC(CNCC1CC=CCC1)CC1CCCC1
InChIInChI=1S/C15H27NO/c17-15(10-13-6-4-5-7-13)12-16-11-14-8-2-1-3-9-14/h1-2,13-17H,3-12H2
InChIKeyITCMZGKMQPNERK-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
CID 134924288
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
(1R)-1-[(4S,5S)-6-azaspiro[4.5]dec-8-en-4-yl]ethanol
CID 102084980
1-(2-Bicyclo[2.2.1]hept-5-enylamino)hexan-2-ol
CID 20649851
1-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)hexan-2-ol
CID 20649856
2-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol
CID 20649894
[(2S,4S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol
CID 56618141
2-(2-Cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol
CID 69309809
[(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol
CID 70072919
(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol
CID 70227186
1-(Cyclohex-3-en-1-yl)-2-(methylamino)ethan-1-ol
CID 84013562
2,3,4,5,5a,6,7,8-octahydro-1H-3-benzazepin-5-ol
CID 123871950

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol (CID 103157616) is 1-(cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol is OC(CNCC1CC=CCC1)CC1CCCC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol?
The InChIKey is ITCMZGKMQPNERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c17-15(10-13-6-4-5-7-13)12-16-11-14-8-2-1-3-9-14/h1-2,13-17H,3-12H2.
What are the key properties of 1-(cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol?
1-(cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol has a molecular weight of 237.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethylamino)-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103157616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).