1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine

C15H18N2 — CID 63850221

IUPAC1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
SMILESc1ccc2c(CNCC3CCC3)ccnc2c1
InChIInChI=1S/C15H18N2/c1-2-7-15-14(6-1)13(8-9-17-15)11-16-10-12-4-3-5-12/h1-2,6-9,12,16H,3-5,10-11H2
InChIKeyJOOCEQBCSWXBJF-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.12
Rot. Bonds4

About 1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine

1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine (PubChem CID 63850221) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
PubChem CID63850221
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
SMILESc1ccc2c(CNCC3CCC3)ccnc2c1
InChIInChI=1S/C15H18N2/c1-2-7-15-14(6-1)13(8-9-17-15)11-16-10-12-4-3-5-12/h1-2,6-9,12,16H,3-5,10-11H2
InChIKeyJOOCEQBCSWXBJF-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63852262
1-cyclobutyl-N-(naphthalen-1-ylmethyl)methanamine
CID 43298553
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850213
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
1-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 63851922
1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142229295
2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983
1-cyclobutyl-3-quinolin-4-ylpropan-2-amine
CID 103168915
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine?
The IUPAC name of 1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine (CID 63850221) is 1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine?
The canonical SMILES for 1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine is c1ccc2c(CNCC3CCC3)ccnc2c1.
What is the InChIKey of 1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine?
The InChIKey is JOOCEQBCSWXBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-7-15-14(6-1)13(8-9-17-15)11-16-10-12-4-3-5-12/h1-2,6-9,12,16H,3-5,10-11H2.
What are the key properties of 1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine?
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine has a molecular weight of 226.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine is sourced from PubChem (CID 63850221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).