2-(aminomethyl)-N-propan-2-ylquinolin-4-amine

C13H17N3 — CID 84681230

IUPAC2-(aminomethyl)-N-propan-2-ylquinolin-4-amine
SMILESCC(C)Nc1cc(CN)nc2ccccc12
InChIInChI=1S/C13H17N3/c1-9(2)15-13-7-10(8-14)16-12-6-4-3-5-11(12)13/h3-7,9H,8,14H2,1-2H3,(H,15,16)
InChIKeyLRUXCUAXXLVTJB-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.51
Rot. Bonds3

About 2-(aminomethyl)-N-propan-2-ylquinolin-4-amine

2-(aminomethyl)-N-propan-2-ylquinolin-4-amine (PubChem CID 84681230) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-propan-2-ylquinolin-4-amine
PubChem CID84681230
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(aminomethyl)-N-propan-2-ylquinolin-4-amine
SMILESCC(C)Nc1cc(CN)nc2ccccc12
InChIInChI=1S/C13H17N3/c1-9(2)15-13-7-10(8-14)16-12-6-4-3-5-11(12)13/h3-7,9H,8,14H2,1-2H3,(H,15,16)
InChIKeyLRUXCUAXXLVTJB-UHFFFAOYSA-N
XLogP2.51
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylaminomethyl)-N-propan-2-ylquinolin-4-amine
CID 113378137
2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine
CID 63377115
N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine
CID 113484976
(4-pentan-2-yloxyquinolin-2-yl)methanamine
CID 102985707
N-propan-2-ylcinnolin-4-amine
CID 39733520
2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717
5-[(2-ethylquinolin-4-yl)amino]-4-methylpentan-2-ol
CID 133402239
2-[[4-(aminomethyl)quinolin-2-yl]amino]propan-1-ol
CID 63883932
N-[[4-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]quinolin-2-yl]methyl]-1-phenylcyclohexane-1-carboxamide
CID 58797236
N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine
CID 60869079
methyl 2-[(2-methylquinolin-4-yl)amino]propanoate
CID 43525443
[4-(2,3-dimethylphenoxy)quinolin-2-yl]methanamine
CID 63377413

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-propan-2-ylquinolin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-propan-2-ylquinolin-4-amine (CID 84681230) is 2-(aminomethyl)-N-propan-2-ylquinolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-propan-2-ylquinolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-propan-2-ylquinolin-4-amine is CC(C)Nc1cc(CN)nc2ccccc12.
What is the InChIKey of 2-(aminomethyl)-N-propan-2-ylquinolin-4-amine?
The InChIKey is LRUXCUAXXLVTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9(2)15-13-7-10(8-14)16-12-6-4-3-5-11(12)13/h3-7,9H,8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-propan-2-ylquinolin-4-amine?
2-(aminomethyl)-N-propan-2-ylquinolin-4-amine has a molecular weight of 215.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 84681230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).