4-[2-(azepan-1-yl)propyl]cyclohex-2-en-1-ol

C15H27NO — CID 163858386

IUPAC4-[2-(azepan-1-yl)propyl]cyclohex-2-en-1-ol
SMILESCC(CC1C=CC(O)CC1)N1CCCCCC1
InChIInChI=1S/C15H27NO/c1-13(16-10-4-2-3-5-11-16)12-14-6-8-15(17)9-7-14/h6,8,13-15,17H,2-5,7,9-12H2,1H3
InChIKeyPAJAYPGTTNZLOX-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.97
Rot. Bonds3

About 4-[2-(azepan-1-yl)propyl]cyclohex-2-en-1-ol

4-[2-(azepan-1-yl)propyl]cyclohex-2-en-1-ol (PubChem CID 163858386) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-[2-(azepan-1-yl)propyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-[2-(azepan-1-yl)propyl]cyclohex-2-en-1-ol
PubChem CID163858386
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name4-[2-(azepan-1-yl)propyl]cyclohex-2-en-1-ol
SMILESCC(CC1C=CC(O)CC1)N1CCCCCC1
InChIInChI=1S/C15H27NO/c1-13(16-10-4-2-3-5-11-16)12-14-6-8-15(17)9-7-14/h6,8,13-15,17H,2-5,7,9-12H2,1H3
InChIKeyPAJAYPGTTNZLOX-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Hydroxy-1-propyl)-(6-methyl-6-azabicyclo[3.2.2]non-2-ene)
CID 67020382
4-[2-[Ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol
CID 90916937
2,3,6-trimethyl-2,4,5,6,6a,7,8,10a-octahydro-1H-3-benzazocin-8-ol
CID 141767092
(Z)-3-[1-(2,2-dimethylpropyl)-7-methylazepan-4-yl]prop-2-en-1-ol
CID 169234868
1-[(6R,7R)-7-(azepan-1-yl)-6-methyl-4,4a,5,6,7,8-hexahydro-3H-benzo[7]annulen-3-yl]ethanol
CID 169890582
5-[1-(Dimethylamino)ethyl]cyclohex-2-en-1-ol
CID 176232830
1-(1-Cyclohex-2-en-1-ylazepan-2-yl)propan-2-ol
CID 114620907
1-(6-Methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)ethanol
CID 130152430
1-[(1S,5R)-6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl]ethanol
CID 131020372
4-Ethyl-1-methyl-2,3,3a,6,7,7a-hexahydroindol-6-ol
CID 172351348

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azepan-1-yl)propyl]cyclohex-2-en-1-ol?
The IUPAC name of 4-[2-(azepan-1-yl)propyl]cyclohex-2-en-1-ol (CID 163858386) is 4-[2-(azepan-1-yl)propyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 4-[2-(azepan-1-yl)propyl]cyclohex-2-en-1-ol?
The canonical SMILES for 4-[2-(azepan-1-yl)propyl]cyclohex-2-en-1-ol is CC(CC1C=CC(O)CC1)N1CCCCCC1.
What is the InChIKey of 4-[2-(azepan-1-yl)propyl]cyclohex-2-en-1-ol?
The InChIKey is PAJAYPGTTNZLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-13(16-10-4-2-3-5-11-16)12-14-6-8-15(17)9-7-14/h6,8,13-15,17H,2-5,7,9-12H2,1H3.
What are the key properties of 4-[2-(azepan-1-yl)propyl]cyclohex-2-en-1-ol?
4-[2-(azepan-1-yl)propyl]cyclohex-2-en-1-ol has a molecular weight of 237.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azepan-1-yl)propyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 163858386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).