N-(quinolin-3-ylmethyl)ethanamine

C12H14N2 — CID 16640553

IUPACN-(quinolin-3-ylmethyl)ethanamine
SMILESCCNCc1cnc2ccccc2c1
InChIInChI=1S/C12H14N2/c1-2-13-8-10-7-11-5-3-4-6-12(11)14-9-10/h3-7,9,13H,2,8H2,1H3
InChIKeyJMKSFFPASMGLBZ-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.34
Rot. Bonds3

About N-(quinolin-3-ylmethyl)ethanamine

N-(quinolin-3-ylmethyl)ethanamine (PubChem CID 16640553) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is N-(quinolin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(quinolin-3-ylmethyl)ethanamine
PubChem CID16640553
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC NameN-(quinolin-3-ylmethyl)ethanamine
SMILESCCNCc1cnc2ccccc2c1
InChIInChI=1S/C12H14N2/c1-2-13-8-10-7-11-5-3-4-6-12(11)14-9-10/h3-7,9,13H,2,8H2,1H3
InChIKeyJMKSFFPASMGLBZ-UHFFFAOYSA-N
XLogP2.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(quinolin-3-ylmethylamino)ethanol
CID 143559456
methyl 3-(quinolin-3-ylmethylamino)propanoate
CID 114203484
2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine
CID 113231254
1-(2,2-dimethylcyclopropyl)-N-(quinolin-3-ylmethyl)methanamine
CID 113234893
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
N-(quinolin-3-ylmethyl)aniline
CID 12573835
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747
molecular hydrogen;N-(quinolin-3-ylmethyl)butan-2-amine
CID 142196706
2-quinolin-3-ylethanol
CID 53403774
3-ethylquinoline;quinoline
CID 174966721
3-[(sulfinatoamino)methyl]quinoline
CID 67383747
3-(2-methylpropyl)quinoline
CID 12072851

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-3-ylmethyl)ethanamine?
The IUPAC name of N-(quinolin-3-ylmethyl)ethanamine (CID 16640553) is N-(quinolin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-(quinolin-3-ylmethyl)ethanamine?
The canonical SMILES for N-(quinolin-3-ylmethyl)ethanamine is CCNCc1cnc2ccccc2c1.
What is the InChIKey of N-(quinolin-3-ylmethyl)ethanamine?
The InChIKey is JMKSFFPASMGLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-13-8-10-7-11-5-3-4-6-12(11)14-9-10/h3-7,9,13H,2,8H2,1H3.
What are the key properties of N-(quinolin-3-ylmethyl)ethanamine?
N-(quinolin-3-ylmethyl)ethanamine has a molecular weight of 186.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-3-ylmethyl)ethanamine is sourced from PubChem (CID 16640553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).