2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine

C15H21N3 — CID 64550319

IUPAC2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine
SMILESCCC(C)(CN)Nc1nc2ccccc2cc1C
InChIInChI=1S/C15H21N3/c1-4-15(3,10-16)18-14-11(2)9-12-7-5-6-8-13(12)17-14/h5-9H,4,10,16H2,1-3H3,(H,17,18)
InChIKeyGJAXMRUMNOPOIF-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.08
Rot. Bonds4

About 2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine

2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine (PubChem CID 64550319) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine
PubChem CID64550319
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine
SMILESCCC(C)(CN)Nc1nc2ccccc2cc1C
InChIInChI=1S/C15H21N3/c1-4-15(3,10-16)18-14-11(2)9-12-7-5-6-8-13(12)17-14/h5-9H,4,10,16H2,1-3H3,(H,17,18)
InChIKeyGJAXMRUMNOPOIF-UHFFFAOYSA-N
XLogP3.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-N-(3-methylquinolin-2-yl)pentane-1,3-diamine
CID 106165971
1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 63730578
3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine
CID 106287148
(3-methylquinolin-2-yl)urea
CID 141055729
N-[(2-ethylphenyl)methyl]-3-methylquinolin-2-amine
CID 64693443
N-[2-(2-aminoethoxy)ethyl]-3-methylquinolin-2-amine
CID 63767208
1-[(1-amino-2-methylbutan-2-yl)amino]isoquinolin-7-ol
CID 106543374
N-ethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 63229477
4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol
CID 106350873
3-methyl-N-(2,2,3,3-tetrafluoropropyl)quinolin-2-amine
CID 106293889
2-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbutane-1,2-diamine
CID 64549694
N-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine
CID 63535077

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine (CID 64550319) is 2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine is CCC(C)(CN)Nc1nc2ccccc2cc1C.
What is the InChIKey of 2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine?
The InChIKey is GJAXMRUMNOPOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-15(3,10-16)18-14-11(2)9-12-7-5-6-8-13(12)17-14/h5-9H,4,10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine?
2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine has a molecular weight of 243.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(3-methylquinolin-2-yl)butane-1,2-diamine is sourced from PubChem (CID 64550319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).