N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine

C17H22N2 — CID 114474759

IUPACN-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1nccc2ccccc12
InChIInChI=1S/C17H22N2/c1-4-18-16(10-9-13(2)3)17-15-8-6-5-7-14(15)11-12-19-17/h5-8,11-12,16,18H,2,4,9-10H2,1,3H3
InChIKeyIUTSSONIGKDENA-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.24
Rot. Bonds6

About N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine

N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine (PubChem CID 114474759) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
PubChem CID114474759
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1nccc2ccccc12
InChIInChI=1S/C17H22N2/c1-4-18-16(10-9-13(2)3)17-15-8-6-5-7-14(15)11-12-19-17/h5-8,11-12,16,18H,2,4,9-10H2,1,3H3
InChIKeyIUTSSONIGKDENA-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.24
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

1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474755
(1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine
CID 105220668
N-ethyl-1-isoquinolin-1-ylpent-3-yn-1-amine
CID 63950687
1-isoquinolin-1-yl-N-propylpropan-1-amine
CID 63948250
(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol
CID 97167713
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114475843
1-isoquinolin-1-ylpentylhydrazine
CID 105220521
N-[furan-2-yl(isoquinolin-1-yl)methyl]ethanamine
CID 63950200
N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine
CID 105039440
N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine
CID 114474538
N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine
CID 79178919
(1S)-2-(tert-butylamino)-1-isoquinolin-1-ylethanol
CID 155154320

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine?
The IUPAC name of N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine (CID 114474759) is N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine.
What is the SMILES notation for N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine?
The canonical SMILES for N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine is C=C(C)CCC(NCC)c1nccc2ccccc12.
What is the InChIKey of N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine?
The InChIKey is IUTSSONIGKDENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-18-16(10-9-13(2)3)17-15-8-6-5-7-14(15)11-12-19-17/h5-8,11-12,16,18H,2,4,9-10H2,1,3H3.
What are the key properties of N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine?
N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine has a molecular weight of 254.38 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine is sourced from PubChem (CID 114474759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).