N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine

C16H27N3 — CID 65070089

IUPACN-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine
SMILESCN(C)Cc1ccccc1NC1CCCN(C)CC1
InChIInChI=1S/C16H27N3/c1-18(2)13-14-7-4-5-9-16(14)17-15-8-6-11-19(3)12-10-15/h4-5,7,9,15,17H,6,8,10-13H2,1-3H3
InChIKeyCMTNIZPPUXMPFD-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.64
Rot. Bonds4

About N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine

N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine (PubChem CID 65070089) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine
PubChem CID65070089
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine
SMILESCN(C)Cc1ccccc1NC1CCCN(C)CC1
InChIInChI=1S/C16H27N3/c1-18(2)13-14-7-4-5-9-16(14)17-15-8-6-11-19(3)12-10-15/h4-5,7,9,15,17H,6,8,10-13H2,1-3H3
InChIKeyCMTNIZPPUXMPFD-UHFFFAOYSA-N
XLogP2.64
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-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-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine?
The IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine (CID 65070089) is N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine?
The canonical SMILES for N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine is CN(C)Cc1ccccc1NC1CCCN(C)CC1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine?
The InChIKey is CMTNIZPPUXMPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-18(2)13-14-7-4-5-9-16(14)17-15-8-6-11-19(3)12-10-15/h4-5,7,9,15,17H,6,8,10-13H2,1-3H3.
What are the key properties of N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine?
N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine has a molecular weight of 261.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]phenyl]-1-methylazepan-4-amine is sourced from PubChem (CID 65070089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).