2-[(cyclobutylamino)methyl]quinolin-4-amine

C14H17N3 — CID 115485862

IUPAC2-[(cyclobutylamino)methyl]quinolin-4-amine
SMILESNc1cc(CNC2CCC2)nc2ccccc12
InChIInChI=1S/C14H17N3/c15-13-8-11(9-16-10-4-3-5-10)17-14-7-2-1-6-12(13)14/h1-2,6-8,10,16H,3-5,9H2,(H2,15,17)
InChIKeyMSHZECHNBWTIJN-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.46
Rot. Bonds3

About 2-[(cyclobutylamino)methyl]quinolin-4-amine

2-[(cyclobutylamino)methyl]quinolin-4-amine (PubChem CID 115485862) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[(cyclobutylamino)methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[(cyclobutylamino)methyl]quinolin-4-amine
PubChem CID115485862
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-[(cyclobutylamino)methyl]quinolin-4-amine
SMILESNc1cc(CNC2CCC2)nc2ccccc12
InChIInChI=1S/C14H17N3/c15-13-8-11(9-16-10-4-3-5-10)17-14-7-2-1-6-12(13)14/h1-2,6-8,10,16H,3-5,9H2,(H2,15,17)
InChIKeyMSHZECHNBWTIJN-UHFFFAOYSA-N
XLogP2.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyclobutyloxyquinolin-2-yl)methyl]cyclopropanamine
CID 63377355
2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine
CID 115485809
2-[[cycloheptyl(methyl)amino]methyl]quinolin-4-amine
CID 115485759
2-[(2-methylpyrrolidin-1-yl)methyl]quinolin-4-amine
CID 113319913
N-(quinolin-2-ylmethyl)cyclohexanamine
CID 28774764
N-[(4-thiomorpholin-4-ylquinolin-2-yl)methyl]cyclopropanamine
CID 63373997
2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine
CID 102963805
2-(methoxymethyl)quinolin-4-amine
CID 62320068
2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine
CID 115520378
2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine
CID 115485883
N-[(2,3-dimethylquinolin-4-yl)methyl]cyclopentanamine
CID 63346685
2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine
CID 115485755

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclobutylamino)methyl]quinolin-4-amine?
The IUPAC name of 2-[(cyclobutylamino)methyl]quinolin-4-amine (CID 115485862) is 2-[(cyclobutylamino)methyl]quinolin-4-amine.
What is the SMILES notation for 2-[(cyclobutylamino)methyl]quinolin-4-amine?
The canonical SMILES for 2-[(cyclobutylamino)methyl]quinolin-4-amine is Nc1cc(CNC2CCC2)nc2ccccc12.
What is the InChIKey of 2-[(cyclobutylamino)methyl]quinolin-4-amine?
The InChIKey is MSHZECHNBWTIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-13-8-11(9-16-10-4-3-5-10)17-14-7-2-1-6-12(13)14/h1-2,6-8,10,16H,3-5,9H2,(H2,15,17).
What are the key properties of 2-[(cyclobutylamino)methyl]quinolin-4-amine?
2-[(cyclobutylamino)methyl]quinolin-4-amine has a molecular weight of 227.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclobutylamino)methyl]quinolin-4-amine is sourced from PubChem (CID 115485862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).