N-ethyl-1-quinolin-6-ylbut-3-en-1-amine

C15H18N2 — CID 55181079

IUPACN-ethyl-1-quinolin-6-ylbut-3-en-1-amine
SMILESC=CCC(NCC)c1ccc2ncccc2c1
InChIInChI=1S/C15H18N2/c1-3-6-14(16-4-2)13-8-9-15-12(11-13)7-5-10-17-15/h3,5,7-11,14,16H,1,4,6H2,2H3
InChIKeyVTNDILXFSQCSSZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.46
Rot. Bonds5

About N-ethyl-1-quinolin-6-ylbut-3-en-1-amine

N-ethyl-1-quinolin-6-ylbut-3-en-1-amine (PubChem CID 55181079) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-ethyl-1-quinolin-6-ylbut-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-quinolin-6-ylbut-3-en-1-amine
PubChem CID55181079
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-ethyl-1-quinolin-6-ylbut-3-en-1-amine
SMILESC=CCC(NCC)c1ccc2ncccc2c1
InChIInChI=1S/C15H18N2/c1-3-6-14(16-4-2)13-8-9-15-12(11-13)7-5-10-17-15/h3,5,7-11,14,16H,1,4,6H2,2H3
InChIKeyVTNDILXFSQCSSZ-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine
CID 105021031
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
1-(6-bromonaphthalen-2-yl)-N-ethylbut-3-en-1-amine
CID 115814062
2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine
CID 63097218
2-ethoxy-N-ethyl-2-methyl-1-quinolin-6-ylpropan-1-amine
CID 116726919
N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677
N-ethyl-2,2-dimethoxy-1-quinolin-6-ylethanamine
CID 81232075
N-ethyl-2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
CID 81231123
N-[(3-methylphenyl)-quinolin-6-ylmethyl]ethanamine
CID 63095453
N-[(1-methylcyclopentyl)-quinolin-6-ylmethyl]ethanamine
CID 105021107
3-ethoxy-N-ethyl-1-quinolin-7-ylpropan-1-amine
CID 105172706
N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine
CID 116660811

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-quinolin-6-ylbut-3-en-1-amine?
The IUPAC name of N-ethyl-1-quinolin-6-ylbut-3-en-1-amine (CID 55181079) is N-ethyl-1-quinolin-6-ylbut-3-en-1-amine.
What is the SMILES notation for N-ethyl-1-quinolin-6-ylbut-3-en-1-amine?
The canonical SMILES for N-ethyl-1-quinolin-6-ylbut-3-en-1-amine is C=CCC(NCC)c1ccc2ncccc2c1.
What is the InChIKey of N-ethyl-1-quinolin-6-ylbut-3-en-1-amine?
The InChIKey is VTNDILXFSQCSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-6-14(16-4-2)13-8-9-15-12(11-13)7-5-10-17-15/h3,5,7-11,14,16H,1,4,6H2,2H3.
What are the key properties of N-ethyl-1-quinolin-6-ylbut-3-en-1-amine?
N-ethyl-1-quinolin-6-ylbut-3-en-1-amine has a molecular weight of 226.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-quinolin-6-ylbut-3-en-1-amine is sourced from PubChem (CID 55181079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).