4-prop-2-enylisoquinolin-3-amine

C12H12N2 — CID 119086867

IUPAC4-prop-2-enylisoquinolin-3-amine
SMILESC=CCc1c(N)ncc2ccccc12
InChIInChI=1S/C12H12N2/c1-2-5-11-10-7-4-3-6-9(10)8-14-12(11)13/h2-4,6-8H,1,5H2,(H2,13,14)
InChIKeyRRFQXHCQPNMCIY-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.55
Rot. Bonds2

About 4-prop-2-enylisoquinolin-3-amine

4-prop-2-enylisoquinolin-3-amine (PubChem CID 119086867) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-prop-2-enylisoquinolin-3-amine.

Molecular Properties

Compound Name4-prop-2-enylisoquinolin-3-amine
PubChem CID119086867
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name4-prop-2-enylisoquinolin-3-amine
SMILESC=CCc1c(N)ncc2ccccc12
InChIInChI=1S/C12H12N2/c1-2-5-11-10-7-4-3-6-9(10)8-14-12(11)13/h2-4,6-8H,1,5H2,(H2,13,14)
InChIKeyRRFQXHCQPNMCIY-UHFFFAOYSA-N
XLogP2.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.55
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

4-(bromomethyl)isoquinolin-3-amine
CID 155026311
ethane;4-methylisoquinolin-3-amine
CID 145004950
2-but-3-enoxy-1-prop-2-enylnaphthalene
CID 16750888
4-phenylisoquinolin-3-amine
CID 21162095
1-prop-2-enyl-2-prop-2-ynoxynaphthalene
CID 71425133
1-ethyl-2-prop-2-enylnaphthalene
CID 90721698
1-N-[3-(dimethylamino)propyl]-4-prop-2-enylisoquinoline-1,3-diamine
CID 15437539
3-prop-2-enylquinoxalin-2-amine
CID 174948305
3,4-diethylisoquinoline
CID 34177997
1-benzyl-2-prop-2-enylnaphthalene
CID 173093978
3-prop-2-enylquinolin-2-amine;hydrochloride
CID 69457689
2-(2-prop-2-enylnaphthalen-1-yl)ethanol
CID 138550919

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylisoquinolin-3-amine?
The IUPAC name of 4-prop-2-enylisoquinolin-3-amine (CID 119086867) is 4-prop-2-enylisoquinolin-3-amine.
What is the SMILES notation for 4-prop-2-enylisoquinolin-3-amine?
The canonical SMILES for 4-prop-2-enylisoquinolin-3-amine is C=CCc1c(N)ncc2ccccc12.
What is the InChIKey of 4-prop-2-enylisoquinolin-3-amine?
The InChIKey is RRFQXHCQPNMCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-5-11-10-7-4-3-6-9(10)8-14-12(11)13/h2-4,6-8H,1,5H2,(H2,13,14).
What are the key properties of 4-prop-2-enylisoquinolin-3-amine?
4-prop-2-enylisoquinolin-3-amine has a molecular weight of 184.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylisoquinolin-3-amine is sourced from PubChem (CID 119086867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).