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

C15H18N2 — CID 114474755

IUPAC1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)c1nccc2ccccc12
InChIInChI=1S/C15H18N2/c1-11(2)7-8-14(16)15-13-6-4-3-5-12(13)9-10-17-15/h3-6,9-10,14H,1,7-8,16H2,2H3
InChIKeyWIQCYFSCSIUTPA-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.59
Rot. Bonds4

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

1-isoquinolin-1-yl-4-methylpent-4-en-1-amine (PubChem CID 114474755) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-isoquinolin-1-yl-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
PubChem CID114474755
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)c1nccc2ccccc12
InChIInChI=1S/C15H18N2/c1-11(2)7-8-14(16)15-13-6-4-3-5-12(13)9-10-17-15/h3-6,9-10,14H,1,7-8,16H2,2H3
InChIKeyWIQCYFSCSIUTPA-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 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 ≤ 53.59
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-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474759
1-isoquinolin-1-ylnonan-1-amine
CID 63948030
1-isoquinolin-1-yl-4-phenylbutan-1-amine
CID 63950465
1-isoquinolin-1-yl-3-methylsulfonylpropan-1-amine
CID 63950264
(1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine
CID 105220668
1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine
CID 103031360
isoquinolin-1-ylmethanediol
CID 57261748
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
CID 125479415
2-cyclopentyl-1-isoquinolin-1-ylethanamine
CID 63950469
2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine
CID 65476898
1-isoquinolin-1-yl-3-phenylpropan-1-ol
CID 63950464
(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol
CID 97167713

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yl-4-methylpent-4-en-1-amine?
The IUPAC name of 1-isoquinolin-1-yl-4-methylpent-4-en-1-amine (CID 114474755) is 1-isoquinolin-1-yl-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-isoquinolin-1-yl-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-isoquinolin-1-yl-4-methylpent-4-en-1-amine is C=C(C)CCC(N)c1nccc2ccccc12.
What is the InChIKey of 1-isoquinolin-1-yl-4-methylpent-4-en-1-amine?
The InChIKey is WIQCYFSCSIUTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11(2)7-8-14(16)15-13-6-4-3-5-12(13)9-10-17-15/h3-6,9-10,14H,1,7-8,16H2,2H3.
What are the key properties of 1-isoquinolin-1-yl-4-methylpent-4-en-1-amine?
1-isoquinolin-1-yl-4-methylpent-4-en-1-amine has a molecular weight of 226.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yl-4-methylpent-4-en-1-amine is sourced from PubChem (CID 114474755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).