3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine

C16H23N3 — CID 43669395

IUPAC3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine
SMILESCCC(CC)N(C)c1c(CN)cnc2ccccc12
InChIInChI=1S/C16H23N3/c1-4-13(5-2)19(3)16-12(10-17)11-18-15-9-7-6-8-14(15)16/h6-9,11,13H,4-5,10,17H2,1-3H3
InChIKeyQCWSJHHOQUYBRR-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.32
Rot. Bonds5

About 3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine

3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine (PubChem CID 43669395) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine
PubChem CID43669395
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine
SMILESCCC(CC)N(C)c1c(CN)cnc2ccccc12
InChIInChI=1S/C16H23N3/c1-4-13(5-2)19(3)16-12(10-17)11-18-15-9-7-6-8-14(15)16/h6-9,11,13H,4-5,10,17H2,1-3H3
InChIKeyQCWSJHHOQUYBRR-UHFFFAOYSA-N
XLogP3.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N,N-diethylquinolin-4-amine
CID 43669325
3-(aminomethyl)-N-methyl-N-(2-methylpropyl)quinolin-4-amine
CID 43669369
3-(aminomethyl)-N-methyl-N-pentylquinolin-4-amine
CID 43669373
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]propan-1-ol
CID 114230085
3-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
CID 81052877
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide
CID 106914487
(4-propan-2-yloxyquinolin-3-yl)methanamine
CID 43669459
3-(aminomethyl)-N-ethylquinolin-4-amine
CID 62105650
3-(aminomethyl)-N-propylquinolin-4-amine
CID 62103251
2-[[3-(aminomethyl)quinolin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478493
4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide
CID 43669797
4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide
CID 43669816

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine (CID 43669395) is 3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine is CCC(CC)N(C)c1c(CN)cnc2ccccc12.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine?
The InChIKey is QCWSJHHOQUYBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-13(5-2)19(3)16-12(10-17)11-18-15-9-7-6-8-14(15)16/h6-9,11,13H,4-5,10,17H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine?
3-(aminomethyl)-N-methyl-N-pentan-3-ylquinolin-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.32, 5 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-pentan-3-ylquinolin-4-amine is sourced from PubChem (CID 43669395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).