2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine

C18H25N3 — CID 115485759

IUPAC2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine
SMILESCN(Cc1cc(N)c2ccccc2n1)C1CCCCCC1
InChIInChI=1S/C18H25N3/c1-21(15-8-4-2-3-5-9-15)13-14-12-17(19)16-10-6-7-11-18(16)20-14/h6-7,10-12,15H,2-5,8-9,13H2,1H3,(H2,19,20)
InChIKeyIYLFRTFBWYUPIB-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.97
Rot. Bonds3

About 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine

2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine (PubChem CID 115485759) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine
PubChem CID115485759
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine
SMILESCN(Cc1cc(N)c2ccccc2n1)C1CCCCCC1
InChIInChI=1S/C18H25N3/c1-21(15-8-4-2-3-5-9-15)13-14-12-17(19)16-10-6-7-11-18(16)20-14/h6-7,10-12,15H,2-5,8-9,13H2,1H3,(H2,19,20)
InChIKeyIYLFRTFBWYUPIB-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[cycloheptyl(methyl)amino]methyl]quinolin-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

Related Compounds

Tacrine
CID 1935
Proflavine
CID 7099
Dequalinium Chloride
CID 10649
Acridine Orange Base
CID 62344
Dequalinium
CID 2993
9-Aminoacridine
CID 7019
2-Methylquinoline
CID 7060
3,6-Diamino-10-methylacridinium Chloride
CID 6842
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine hydrochloride
CID 8643
3-Aminoquinoline
CID 11375
2-Methylquinolin-6-amine
CID 103148

Frequently Asked Questions

What is the IUPAC name of 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine?
The IUPAC name of 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine (CID 115485759) is 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine.
What is the SMILES notation for 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine?
The canonical SMILES for 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine is CN(Cc1cc(N)c2ccccc2n1)C1CCCCCC1.
What is the InChIKey of 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine?
The InChIKey is IYLFRTFBWYUPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-21(15-8-4-2-3-5-9-15)13-14-12-17(19)16-10-6-7-11-18(16)20-14/h6-7,10-12,15H,2-5,8-9,13H2,1H3,(H2,19,20).
What are the key properties of 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine?
2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine is sourced from PubChem (CID 115485759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).