4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine

C18H25N3 — CID 105379010

IUPAC4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
SMILESCc1ccc2cc(CN(C)C3CCC(N)CC3)ccc2n1
InChIInChI=1S/C18H25N3/c1-13-3-5-15-11-14(4-10-18(15)20-13)12-21(2)17-8-6-16(19)7-9-17/h3-5,10-11,16-17H,6-9,12,19H2,1-2H3
InChIKeyNOCOJFGZMIGRGU-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.24
Rot. Bonds3

About 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine

4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 105379010) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
PubChem CID105379010
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine
SMILESCc1ccc2cc(CN(C)C3CCC(N)CC3)ccc2n1
InChIInChI=1S/C18H25N3/c1-13-3-5-15-11-14(4-10-18(15)20-13)12-21(2)17-8-6-16(19)7-9-17/h3-5,10-11,16-17H,6-9,12,19H2,1-2H3
InChIKeyNOCOJFGZMIGRGU-UHFFFAOYSA-N
XLogP3.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine 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

Tacrine
CID 1935
Proflavine
CID 7099
Acridine
CID 9215
Pyrvinium
CID 5281035
Ethidium Bromide
CID 14710
6-Methylquinoline
CID 7059
Acridine Orange Base
CID 62344
Dequalinium
CID 2993
9-Aminoacridine
CID 7019
3,6-Diamino-10-methylacridinium Chloride
CID 6842
Tacrine Hydrochloride
CID 2723754
8-Methylquinoline
CID 11910

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine (CID 105379010) is 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine is Cc1ccc2cc(CN(C)C3CCC(N)CC3)ccc2n1.
What is the InChIKey of 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is NOCOJFGZMIGRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13-3-5-15-11-14(4-10-18(15)20-13)12-21(2)17-8-6-16(19)7-9-17/h3-5,10-11,16-17H,6-9,12,19H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine?
4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 283.42 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(2-methylquinolin-6-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 105379010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).