2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine

C14H19N3 — CID 115485707

IUPAC2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine
SMILESCC(C)N(C)Cc1cc(N)c2ccccc2n1
InChIInChI=1S/C14H19N3/c1-10(2)17(3)9-11-8-13(15)12-6-4-5-7-14(12)16-11/h4-8,10H,9H2,1-3H3,(H2,15,16)
InChIKeyHQZSDEKMQQBAJB-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.66
Rot. Bonds3

About 2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine

2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine (PubChem CID 115485707) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine
PubChem CID115485707
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine
SMILESCC(C)N(C)Cc1cc(N)c2ccccc2n1
InChIInChI=1S/C14H19N3/c1-10(2)17(3)9-11-8-13(15)12-6-4-5-7-14(12)16-11/h4-8,10H,9H2,1-3H3,(H2,15,16)
InChIKeyHQZSDEKMQQBAJB-UHFFFAOYSA-N
XLogP2.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]quinolin-4-amine
CID 112661176
2-[[propan-2-yl(propyl)amino]methyl]quinolin-4-amine
CID 115485727
2-[[benzyl(methyl)amino]methyl]quinolin-4-amine
CID 115485704
N'-[(4-aminoquinolin-2-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115485894
2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine
CID 115485759
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]quinolin-4-amine
CID 115485824
2-[[ethyl(propyl)amino]methyl]quinolin-4-amine
CID 113319911
2-(methoxymethyl)quinolin-4-amine
CID 62320068
2-pentylquinolin-4-amine
CID 14082309
2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine
CID 115485755
2-[(heptan-2-ylamino)methyl]quinolin-4-amine
CID 115485806
2-methylquinolin-4-amine
CID 162035180

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine?
The IUPAC name of 2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine (CID 115485707) is 2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine.
What is the SMILES notation for 2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine?
The canonical SMILES for 2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine is CC(C)N(C)Cc1cc(N)c2ccccc2n1.
What is the InChIKey of 2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine?
The InChIKey is HQZSDEKMQQBAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)17(3)9-11-8-13(15)12-6-4-5-7-14(12)16-11/h4-8,10H,9H2,1-3H3,(H2,15,16).
What are the key properties of 2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine?
2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine has a molecular weight of 229.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(propan-2-yl)amino]methyl]quinolin-4-amine is sourced from PubChem (CID 115485707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).