3-heptan-4-yl-3-methylazepine

C14H23N — CID 91391155

IUPAC3-heptan-4-yl-3-methylazepine
SMILESCCCC(CCC)C1(C)C=CC=CN=C1
InChIInChI=1S/C14H23N/c1-4-8-13(9-5-2)14(3)10-6-7-11-15-12-14/h6-7,10-13H,4-5,8-9H2,1-3H3
InChIKeyKEBZVPGMFGOVSN-UHFFFAOYSA-N
MW205.35 g/mol
LogP4.36
Rot. Bonds5

About 3-heptan-4-yl-3-methylazepine

3-heptan-4-yl-3-methylazepine (PubChem CID 91391155) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 3-heptan-4-yl-3-methylazepine.

Molecular Properties

Compound Name3-heptan-4-yl-3-methylazepine
PubChem CID91391155
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name3-heptan-4-yl-3-methylazepine
SMILESCCCC(CCC)C1(C)C=CC=CN=C1
InChIInChI=1S/C14H23N/c1-4-8-13(9-5-2)14(3)10-6-7-11-15-12-14/h6-7,10-13H,4-5,8-9H2,1-3H3
InChIKeyKEBZVPGMFGOVSN-UHFFFAOYSA-N
XLogP4.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-heptan-4-yl-3-methylazepine 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

3,6-ditert-butyl-3H-azepine
CID 10987408
3,5-ditert-butyl-3H-azepine
CID 134891208
9,9-dipropyl-5,8-dihydro-4H-azecine
CID 70546472
(8E,10E)-4-methyl-1-azacycloundeca-1,8,10-triene
CID 70658421
3-Methyl-3-propan-2-yl-4-propylazepine
CID 91291807
N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine
CID 91475759
3-tert-butyl-3H-azepine
CID 101271169
4-Ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine
CID 123208721
3,6-Dimethyl-3-propan-2-ylazepine
CID 123261193
4,4-Dimethyl-6-(2-methylpentan-2-yl)azepine
CID 123277906
3-Hexan-3-yl-3-methylazepine
CID 123398492
3-Methyl-3-propan-2-ylazepine
CID 123434984

Frequently Asked Questions

What is the IUPAC name of 3-heptan-4-yl-3-methylazepine?
The IUPAC name of 3-heptan-4-yl-3-methylazepine (CID 91391155) is 3-heptan-4-yl-3-methylazepine.
What is the SMILES notation for 3-heptan-4-yl-3-methylazepine?
The canonical SMILES for 3-heptan-4-yl-3-methylazepine is CCCC(CCC)C1(C)C=CC=CN=C1.
What is the InChIKey of 3-heptan-4-yl-3-methylazepine?
The InChIKey is KEBZVPGMFGOVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-8-13(9-5-2)14(3)10-6-7-11-15-12-14/h6-7,10-13H,4-5,8-9H2,1-3H3.
What are the key properties of 3-heptan-4-yl-3-methylazepine?
3-heptan-4-yl-3-methylazepine has a molecular weight of 205.35 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-4-yl-3-methylazepine is sourced from PubChem (CID 91391155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).