(1-hept-6-enylazepan-2-yl)methanol

C14H27NO — CID 107010129

IUPAC(1-hept-6-enylazepan-2-yl)methanol
SMILESC=CCCCCCN1CCCCCC1CO
InChIInChI=1S/C14H27NO/c1-2-3-4-5-8-11-15-12-9-6-7-10-14(15)13-16/h2,14,16H,1,3-13H2
InChIKeyZGZOXXZNJZKAAS-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds7

About (1-hept-6-enylazepan-2-yl)methanol

(1-hept-6-enylazepan-2-yl)methanol (PubChem CID 107010129) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (1-hept-6-enylazepan-2-yl)methanol.

Molecular Properties

Compound Name(1-hept-6-enylazepan-2-yl)methanol
PubChem CID107010129
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(1-hept-6-enylazepan-2-yl)methanol
SMILESC=CCCCCCN1CCCCCC1CO
InChIInChI=1S/C14H27NO/c1-2-3-4-5-8-11-15-12-9-6-7-10-14(15)13-16/h2,14,16H,1,3-13H2
InChIKeyZGZOXXZNJZKAAS-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-enylazepan-2-yl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-hept-6-enylazepan-2-yl)methanol?
The IUPAC name of (1-hept-6-enylazepan-2-yl)methanol (CID 107010129) is (1-hept-6-enylazepan-2-yl)methanol.
What is the SMILES notation for (1-hept-6-enylazepan-2-yl)methanol?
The canonical SMILES for (1-hept-6-enylazepan-2-yl)methanol is C=CCCCCCN1CCCCCC1CO.
What is the InChIKey of (1-hept-6-enylazepan-2-yl)methanol?
The InChIKey is ZGZOXXZNJZKAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-5-8-11-15-12-9-6-7-10-14(15)13-16/h2,14,16H,1,3-13H2.
What are the key properties of (1-hept-6-enylazepan-2-yl)methanol?
(1-hept-6-enylazepan-2-yl)methanol has a molecular weight of 225.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hept-6-enylazepan-2-yl)methanol is sourced from PubChem (CID 107010129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).