N-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine

C15H28N2 — CID 143377913

IUPACN-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCC1=CN=CCCC1C
InChIInChI=1S/C15H28N2/c1-4-7-15(8-5-2)17-12-14-11-16-10-6-9-13(14)3/h10-11,13,15,17H,4-9,12H2,1-3H3
InChIKeyOIXRKPQPZPKUPB-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.93
Rot. Bonds7

About N-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine

N-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine (PubChem CID 143377913) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine
PubChem CID143377913
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCC1=CN=CCCC1C
InChIInChI=1S/C15H28N2/c1-4-7-15(8-5-2)17-12-14-11-16-10-6-9-13(14)3/h10-11,13,15,17H,4-9,12H2,1-3H3
InChIKeyOIXRKPQPZPKUPB-UHFFFAOYSA-N
XLogP3.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine 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 N-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine?
The IUPAC name of N-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine (CID 143377913) is N-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine.
What is the SMILES notation for N-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine?
The canonical SMILES for N-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine is CCCC(CCC)NCC1=CN=CCCC1C.
What is the InChIKey of N-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine?
The InChIKey is OIXRKPQPZPKUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-7-15(8-5-2)17-12-14-11-16-10-6-9-13(14)3/h10-11,13,15,17H,4-9,12H2,1-3H3.
What are the key properties of N-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine?
N-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine has a molecular weight of 236.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-4,5-dihydro-3H-azepin-6-yl)methyl]heptan-4-amine is sourced from PubChem (CID 143377913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).