N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine

C18H27N3 — CID 105378787

IUPACN-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)N(C)C(CN)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C18H27N3/c1-5-6-14(3)21(4)18(12-19)16-9-10-17-15(11-16)8-7-13(2)20-17/h7-11,14,18H,5-6,12,19H2,1-4H3
InChIKeyJGEIUPPTCZKOKR-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.66
Rot. Bonds6

About N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine

N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine (PubChem CID 105378787) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine
PubChem CID105378787
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)N(C)C(CN)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C18H27N3/c1-5-6-14(3)21(4)18(12-19)16-9-10-17-15(11-16)8-7-13(2)20-17/h7-11,14,18H,5-6,12,19H2,1-4H3
InChIKeyJGEIUPPTCZKOKR-UHFFFAOYSA-N
XLogP3.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-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

N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
CID 105378810
N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
CID 105378829
N-methyl-1-(4-methylphenyl)-N-pentan-2-ylethane-1,2-diamine
CID 43571950
1-(3,4-difluorophenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571841
[2-methyl-1-(2-methylquinolin-6-yl)pentyl]hydrazine
CID 105327228
1-[4-(difluoromethyl)phenyl]-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 115524252
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43804523
4-amino-3-(2-methylquinolin-6-yl)butan-1-ol
CID 105379707
3-(dimethylamino)-1-(2-methylquinolin-6-yl)propan-1-ol
CID 113291153
3-hydrazinyl-N,N-dimethyl-3-(2-methylquinolin-6-yl)propan-1-amine
CID 105259235
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
CID 81215900

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine?
The IUPAC name of N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine (CID 105378787) is N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine is CCCC(C)N(C)C(CN)c1ccc2nc(C)ccc2c1.
What is the InChIKey of N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine?
The InChIKey is JGEIUPPTCZKOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-6-14(3)21(4)18(12-19)16-9-10-17-15(11-16)8-7-13(2)20-17/h7-11,14,18H,5-6,12,19H2,1-4H3.
What are the key properties of N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine?
N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine has a molecular weight of 285.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine is sourced from PubChem (CID 105378787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).