N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine

C18H27N3 — CID 105378810

IUPACN-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C18H27N3/c1-6-18(3,4)21(5)17(12-19)15-9-10-16-14(11-15)8-7-13(2)20-16/h7-11,17H,6,12,19H2,1-5H3
InChIKeyHGVWCRFCLWZJQX-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.66
Rot. Bonds5

About N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine

N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine (PubChem CID 105378810) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
PubChem CID105378810
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C18H27N3/c1-6-18(3,4)21(5)17(12-19)15-9-10-16-14(11-15)8-7-13(2)20-16/h7-11,17H,6,12,19H2,1-5H3
InChIKeyHGVWCRFCLWZJQX-UHFFFAOYSA-N
XLogP3.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

N-(2-ethoxyethyl)-N-methyl-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
CID 105378829
N-methyl-1-(2-methylquinolin-6-yl)-N-pentan-2-ylethane-1,2-diamine
CID 105378787
1-(3-fluoro-4-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983968
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983095
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983958
3,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 81231464
N,2,2-trimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105020769
N-methyl-N-(2-methylbutan-2-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethane-1,2-diamine
CID 114075541
2-(dimethylamino)-2-methyl-1-(2-methylquinolin-6-yl)propan-1-ol
CID 81220593
4-amino-3-(2-methylquinolin-6-yl)butan-1-ol
CID 105379707
1-(2-methylquinolin-6-yl)propan-1-ol
CID 81216711
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983749

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine (CID 105378810) is N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine is CCC(C)(C)N(C)C(CN)c1ccc2nc(C)ccc2c1.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine?
The InChIKey is HGVWCRFCLWZJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-18(3,4)21(5)17(12-19)15-9-10-16-14(11-15)8-7-13(2)20-16/h7-11,17H,6,12,19H2,1-5H3.
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine?
N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine has a molecular weight of 285.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 105378810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).