[1-[[2-(cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol

C15H27NO — CID 106168982

IUPAC[1-[[2-(cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESOCC1(CNCCC2=CCCC2)CCCCC1
InChIInChI=1S/C15H27NO/c17-13-15(9-4-1-5-10-15)12-16-11-8-14-6-2-3-7-14/h6,16-17H,1-5,7-13H2
InChIKeyLCRYKSZYOUPLCT-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.02
Rot. Bonds6

About [1-[[2-(cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol

[1-[[2-(cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 106168982) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is [1-[[2-(cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-(cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol
PubChem CID106168982
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name[1-[[2-(cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESOCC1(CNCCC2=CCCC2)CCCCC1
InChIInChI=1S/C15H27NO/c17-13-15(9-4-1-5-10-15)12-16-11-8-14-6-2-3-7-14/h6,16-17H,1-5,7-13H2
InChIKeyLCRYKSZYOUPLCT-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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

(4-Pentyl-1,2,3,6-tetrahydropyridin-3-yl)methanol
CID 70034791
[(3E)-1-(ethylaminomethyl)-3-(methoxymethylidene)cyclohexyl]methanol
CID 10987615
[1-[[2-(Cyclohexen-1-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81411298
2-[[2-(Cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81411299
2-[[2-(Cyclohexen-1-yl)ethylamino]methyl]-2-ethylbutan-1-ol
CID 81411398
[1-[(Prop-2-enylamino)methyl]cyclohexyl]methanol
CID 81412181
[1-[(Cyclohex-3-en-1-ylamino)methyl]cyclohexyl]methanol
CID 81418458
[1-[(Cyclohex-3-en-1-ylmethylamino)methyl]cyclohexyl]methanol
CID 81419341
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]propan-1-ol
CID 103276133
2-[[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclohexan-1-ol
CID 103276837
3-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]-2-methylpropan-1-ol
CID 103276840
2-[[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
CID 103276867

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[2-(cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol (CID 106168982) is [1-[[2-(cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-(cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-(cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol is OCC1(CNCCC2=CCCC2)CCCCC1.
What is the InChIKey of [1-[[2-(cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is LCRYKSZYOUPLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c17-13-15(9-4-1-5-10-15)12-16-11-8-14-6-2-3-7-14/h6,16-17H,1-5,7-13H2.
What are the key properties of [1-[[2-(cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol?
[1-[[2-(cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 237.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(cyclopenten-1-yl)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 106168982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).