3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine

C15H21N3 — CID 43669369

IUPAC3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine
SMILESCC(C)CN(C)c1c(CN)cnc2ccccc12
InChIInChI=1S/C15H21N3/c1-11(2)10-18(3)15-12(8-16)9-17-14-7-5-4-6-13(14)15/h4-7,9,11H,8,10,16H2,1-3H3
InChIKeySXPJLVURWZBIDU-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.79
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine

3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine (PubChem CID 43669369) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine
PubChem CID43669369
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine
SMILESCC(C)CN(C)c1c(CN)cnc2ccccc12
InChIInChI=1S/C15H21N3/c1-11(2)10-18(3)15-12(8-16)9-17-14-7-5-4-6-13(14)15/h4-7,9,11H,8,10,16H2,1-3H3
InChIKeySXPJLVURWZBIDU-UHFFFAOYSA-N
XLogP2.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide
CID 106914487
3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
CID 81052877
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol
CID 114230085
3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine
CID 43669373
3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine
CID 43669395
3-(aminomethyl)-N,N-diethylquinolin-4-amine
CID 43669325
(4-propan-2-yloxyquinolin-3-yl)methanamine
CID 43669459
4-(aminomethyl)-N-methyl-N-(2-methylbutyl)isoquinolin-1-amine
CID 106775173
4-(aminomethyl)-N-ethyl-N-(2-methylpropyl)isoquinolin-1-amine
CID 106775131
2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline
CID 107105504
4-[methyl(2-methylbutyl)amino]quinoline-3-carbothioamide
CID 43669646
4-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)isoquinolin-1-amine
CID 106775822

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine (CID 43669369) is 3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine is CC(C)CN(C)c1c(CN)cnc2ccccc12.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine?
The InChIKey is SXPJLVURWZBIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)10-18(3)15-12(8-16)9-17-14-7-5-4-6-13(14)15/h4-7,9,11H,8,10,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine?
3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine has a molecular weight of 243.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine is sourced from PubChem (CID 43669369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).