N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine

C18H27N3 — CID 63058913

IUPACN-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine
SMILESCC(C)CNCc1cc2ccccc2nc1N(C)C(C)C
InChIInChI=1S/C18H27N3/c1-13(2)11-19-12-16-10-15-8-6-7-9-17(15)20-18(16)21(5)14(3)4/h6-10,13-14,19H,11-12H2,1-5H3
InChIKeyHZNUHGWZGPQIPH-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.83
Rot. Bonds6

About N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine

N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine (PubChem CID 63058913) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine
PubChem CID63058913
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC NameN-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine
SMILESCC(C)CNCc1cc2ccccc2nc1N(C)C(C)C
InChIInChI=1S/C18H27N3/c1-13(2)11-19-12-16-10-15-8-6-7-9-17(15)20-18(16)21(5)14(3)4/h6-10,13-14,19H,11-12H2,1-5H3
InChIKeyHZNUHGWZGPQIPH-UHFFFAOYSA-N
XLogP3.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-(ethylaminomethyl)quinolin-2-amine
CID 43280352
3-[3-[(2-methylpropylamino)methyl]quinolin-2-yl]sulfanylpropan-1-ol
CID 66128985
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
N-cyclopropyl-3-[(2-methoxyethylamino)methyl]-N-methylquinolin-2-amine
CID 63060367
3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine
CID 107081149
2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol
CID 113425934
3-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]quinolin-2-amine
CID 63864306
N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine
CID 62279284
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylquinolin-2-amine
CID 43281662
N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63058925
3-[3-(dimethylamino)propyl]-N,N-dimethylquinolin-2-amine
CID 170866839
3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine
CID 107079806

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine?
The IUPAC name of N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine (CID 63058913) is N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine.
What is the SMILES notation for N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine?
The canonical SMILES for N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine is CC(C)CNCc1cc2ccccc2nc1N(C)C(C)C.
What is the InChIKey of N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine?
The InChIKey is HZNUHGWZGPQIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-13(2)11-19-12-16-10-15-8-6-7-9-17(15)20-18(16)21(5)14(3)4/h6-10,13-14,19H,11-12H2,1-5H3.
What are the key properties of N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine?
N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine has a molecular weight of 285.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methylpropylamino)methyl]-N-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63058913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).