N-(quinolin-4-ylmethyl)ethenamine

C12H12N2 — CID 166934821

IUPACN-(quinolin-4-ylmethyl)ethenamine
SMILESC=CNCc1ccnc2ccccc12
InChIInChI=1S/C12H12N2/c1-2-13-9-10-7-8-14-12-6-4-3-5-11(10)12/h2-8,13H,1,9H2
InChIKeyIWDHHDTXKPMYDJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.47
Rot. Bonds3

About N-(quinolin-4-ylmethyl)ethenamine

N-(quinolin-4-ylmethyl)ethenamine (PubChem CID 166934821) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(quinolin-4-ylmethyl)ethenamine.

Molecular Properties

Compound NameN-(quinolin-4-ylmethyl)ethenamine
PubChem CID166934821
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC NameN-(quinolin-4-ylmethyl)ethenamine
SMILESC=CNCc1ccnc2ccccc12
InChIInChI=1S/C12H12N2/c1-2-13-9-10-7-8-14-12-6-4-3-5-11(10)12/h2-8,13H,1,9H2
InChIKeyIWDHHDTXKPMYDJ-UHFFFAOYSA-N
XLogP2.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
N-(quinolin-4-ylmethyl)aniline
CID 57199115
N-methoxy-1-quinolin-4-ylmethanamine
CID 79235633
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
2,2-dimethyl-N-(quinolin-4-ylmethyl)cyclopropan-1-amine
CID 55258797
4-(3-methylidenepent-4-enyl)quinoline
CID 87131912
N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine
CID 90798639
4-(pyrrol-1-ylmethyl)quinoline
CID 79240222
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148
1-[4-(chloromethyl)phenyl]-N-(quinolin-4-ylmethyl)methanamine
CID 107232919
N-(quinolin-4-ylmethyl)piperidin-1-amine
CID 83006979
2-methyl-2-(quinolin-4-ylmethylamino)propan-1-ol
CID 63868080

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-4-ylmethyl)ethenamine?
The IUPAC name of N-(quinolin-4-ylmethyl)ethenamine (CID 166934821) is N-(quinolin-4-ylmethyl)ethenamine.
What is the SMILES notation for N-(quinolin-4-ylmethyl)ethenamine?
The canonical SMILES for N-(quinolin-4-ylmethyl)ethenamine is C=CNCc1ccnc2ccccc12.
What is the InChIKey of N-(quinolin-4-ylmethyl)ethenamine?
The InChIKey is IWDHHDTXKPMYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-13-9-10-7-8-14-12-6-4-3-5-11(10)12/h2-8,13H,1,9H2.
What are the key properties of N-(quinolin-4-ylmethyl)ethenamine?
N-(quinolin-4-ylmethyl)ethenamine has a molecular weight of 184.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-4-ylmethyl)ethenamine is sourced from PubChem (CID 166934821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).