azepan-2-yl-(3,5-dimethylcyclohex-3-en-1-yl)methanol

C15H27NO — CID 103277558

IUPACazepan-2-yl-(3,5-dimethylcyclohex-3-en-1-yl)methanol
SMILESCC1=CC(C)CC(C(O)C2CCCCCN2)C1
InChIInChI=1S/C15H27NO/c1-11-8-12(2)10-13(9-11)15(17)14-6-4-3-5-7-16-14/h8,11,13-17H,3-7,9-10H2,1-2H3
InChIKeyNPRPSTRPVJBLLZ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.87
Rot. Bonds2

About azepan-2-yl-(3,5-dimethylcyclohex-3-en-1-yl)methanol

azepan-2-yl-(3,5-dimethylcyclohex-3-en-1-yl)methanol (PubChem CID 103277558) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is azepan-2-yl-(3,5-dimethylcyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Nameazepan-2-yl-(3,5-dimethylcyclohex-3-en-1-yl)methanol
PubChem CID103277558
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameazepan-2-yl-(3,5-dimethylcyclohex-3-en-1-yl)methanol
SMILESCC1=CC(C)CC(C(O)C2CCCCCN2)C1
InChIInChI=1S/C15H27NO/c1-11-8-12(2)10-13(9-11)15(17)14-6-4-3-5-7-16-14/h8,11,13-17H,3-7,9-10H2,1-2H3
InChIKeyNPRPSTRPVJBLLZ-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-2-(4-ethylcyclohexen-1-yl)ethanol
CID 68097861
2-(2-Cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol
CID 69309809
(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol
CID 70227186
4-[(3-Cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol
CID 91205271
1-(10-Azabicyclo[4.3.2]undec-3-en-4-yl)propan-1-ol
CID 123170778
1-(Cyclohexen-1-yl)-1-(methylamino)propan-2-ol
CID 123328567
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
3-[4-[2-(Prop-2-ynylamino)propyl]cyclohexen-1-yl]propan-1-ol
CID 129045839
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)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol
CID 142141543

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The IUPAC name of azepan-2-yl-(3,5-dimethylcyclohex-3-en-1-yl)methanol (CID 103277558) is azepan-2-yl-(3,5-dimethylcyclohex-3-en-1-yl)methanol.
What is the SMILES notation for azepan-2-yl-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The canonical SMILES for azepan-2-yl-(3,5-dimethylcyclohex-3-en-1-yl)methanol is CC1=CC(C)CC(C(O)C2CCCCCN2)C1.
What is the InChIKey of azepan-2-yl-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The InChIKey is NPRPSTRPVJBLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-11-8-12(2)10-13(9-11)15(17)14-6-4-3-5-7-16-14/h8,11,13-17H,3-7,9-10H2,1-2H3.
What are the key properties of azepan-2-yl-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
azepan-2-yl-(3,5-dimethylcyclohex-3-en-1-yl)methanol has a molecular weight of 237.39 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-(3,5-dimethylcyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 103277558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).