1-hept-6-enyl-4-methylazepan-4-ol

C14H27NO — CID 107408075

IUPAC1-hept-6-enyl-4-methylazepan-4-ol
SMILESC=CCCCCCN1CCCC(C)(O)CC1
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-11-15-12-8-9-14(2,16)10-13-15/h3,16H,1,4-13H2,2H3
InChIKeyQJMMAHYZSWBODU-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds6

About 1-hept-6-enyl-4-methylazepan-4-ol

1-hept-6-enyl-4-methylazepan-4-ol (PubChem CID 107408075) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-hept-6-enyl-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-hept-6-enyl-4-methylazepan-4-ol
PubChem CID107408075
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-hept-6-enyl-4-methylazepan-4-ol
SMILESC=CCCCCCN1CCCC(C)(O)CC1
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-11-15-12-8-9-14(2,16)10-13-15/h3,16H,1,4-13H2,2H3
InChIKeyQJMMAHYZSWBODU-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-hept-6-enyl-4-methylazepan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-But-3-enyl-1-methylpiperidin-4-ol
CID 20622649
4-Prop-2-enylazepan-4-ol
CID 103982838
1-Iodo-4-(3-methylbut-2-enyl)azepan-4-ol
CID 138702374
4-(Aminomethyl)-1-but-3-enylazepan-4-ol
CID 142337773
4-Methyl-1-pent-1-en-2-ylazepan-4-ol
CID 146416735
4-Ethenyl-1-methylazepan-4-ol
CID 65416494
4-Ethenyl-1-ethylazepan-4-ol
CID 65416706
4-Ethenyl-1-propylazepan-4-ol
CID 65416707
4-Ethenyl-1-propan-2-ylazepan-4-ol
CID 65416708
4-(2-Methylprop-1-enyl)-1-propylazepan-4-ol
CID 79189481
1-Propan-2-yl-4-prop-1-en-2-ylazepan-4-ol
CID 79189482
1-Methyl-4-prop-1-en-2-ylazepan-4-ol
CID 79190908

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-4-methylazepan-4-ol?
The IUPAC name of 1-hept-6-enyl-4-methylazepan-4-ol (CID 107408075) is 1-hept-6-enyl-4-methylazepan-4-ol.
What is the SMILES notation for 1-hept-6-enyl-4-methylazepan-4-ol?
The canonical SMILES for 1-hept-6-enyl-4-methylazepan-4-ol is C=CCCCCCN1CCCC(C)(O)CC1.
What is the InChIKey of 1-hept-6-enyl-4-methylazepan-4-ol?
The InChIKey is QJMMAHYZSWBODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-5-6-7-11-15-12-8-9-14(2,16)10-13-15/h3,16H,1,4-13H2,2H3.
What are the key properties of 1-hept-6-enyl-4-methylazepan-4-ol?
1-hept-6-enyl-4-methylazepan-4-ol has a molecular weight of 225.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-4-methylazepan-4-ol is sourced from PubChem (CID 107408075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).