[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine

C14H23N3 — CID 18525875

IUPAC[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
SMILESCN1CCCN(Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C14H23N3/c1-16-7-2-8-17(10-9-16)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-12,15H2,1H3
InChIKeyAQLZGQUKWNQYPH-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.28
Rot. Bonds3

About [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine

[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine (PubChem CID 18525875) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
PubChem CID18525875
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
SMILESCN1CCCN(Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C14H23N3/c1-16-7-2-8-17(10-9-16)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-12,15H2,1H3
InChIKeyAQLZGQUKWNQYPH-UHFFFAOYSA-N
XLogP1.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine 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 [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine (CID 18525875) is [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine is CN1CCCN(Cc2ccc(CN)cc2)CC1.
What is the InChIKey of [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine?
The InChIKey is AQLZGQUKWNQYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-16-7-2-8-17(10-9-16)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-12,15H2,1H3.
What are the key properties of [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine?
[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 18525875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).