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

C17H24N4 — CID 106774974

IUPACN-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine
SMILESCNCc1cnc(N2CCCN(C)CC2)c2ccccc12
InChIInChI=1S/C17H24N4/c1-18-12-14-13-19-17(16-7-4-3-6-15(14)16)21-9-5-8-20(2)10-11-21/h3-4,6-7,13,18H,5,8-12H2,1-2H3
InChIKeyRXAQUAXRRRZEQX-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.10
Rot. Bonds3

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

N-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine (PubChem CID 106774974) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine
PubChem CID106774974
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine
SMILESCNCc1cnc(N2CCCN(C)CC2)c2ccccc12
InChIInChI=1S/C17H24N4/c1-18-12-14-13-19-17(16-7-4-3-6-15(14)16)21-9-5-8-20(2)10-11-21/h3-4,6-7,13,18H,5,8-12H2,1-2H3
InChIKeyRXAQUAXRRRZEQX-UHFFFAOYSA-N
XLogP2.10
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine 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

Mirtazapine
CID 4205
1-Isoquinolinamine
CID 73742
Isoquinolin-3-Amine
CID 311869
(-)-Mirtazapine
CID 3085219
Esmirtazapine
CID 3085218
2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 5328118
1-(Piperazin-1-yl)isoquinoline
CID 15887436
4-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine Hydrochloride
CID 2947134
N-phenylisoquinolin-1-amine
CID 613037
Normirtazapine
CID 10467350
3-(4-Methylpiperazin-1-yl)-isoquinoline
CID 13025568
N-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine
CID 25113021

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine (CID 106774974) is N-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine is CNCc1cnc(N2CCCN(C)CC2)c2ccccc12.
What is the InChIKey of N-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine?
The InChIKey is RXAQUAXRRRZEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-18-12-14-13-19-17(16-7-4-3-6-15(14)16)21-9-5-8-20(2)10-11-21/h3-4,6-7,13,18H,5,8-12H2,1-2H3.
What are the key properties of N-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine?
N-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine has a molecular weight of 284.41 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine is sourced from PubChem (CID 106774974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).