5-prop-1-en-2-ylisoquinolin-1-amine

C12H12N2 — CID 164902291

IUPAC5-prop-1-en-2-ylisoquinolin-1-amine
SMILESC=C(C)c1cccc2c(N)nccc12
InChIInChI=1S/C12H12N2/c1-8(2)9-4-3-5-11-10(9)6-7-14-12(11)13/h3-7H,1H2,2H3,(H2,13,14)
InChIKeyNXCBSAZBWIUSMN-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.85
Rot. Bonds1

About 5-prop-1-en-2-ylisoquinolin-1-amine

5-prop-1-en-2-ylisoquinolin-1-amine (PubChem CID 164902291) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-prop-1-en-2-ylisoquinolin-1-amine.

Molecular Properties

Compound Name5-prop-1-en-2-ylisoquinolin-1-amine
PubChem CID164902291
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name5-prop-1-en-2-ylisoquinolin-1-amine
SMILESC=C(C)c1cccc2c(N)nccc12
InChIInChI=1S/C12H12N2/c1-8(2)9-4-3-5-11-10(9)6-7-14-12(11)13/h3-7H,1H2,2H3,(H2,13,14)
InChIKeyNXCBSAZBWIUSMN-UHFFFAOYSA-N
XLogP2.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-prop-1-en-2-ylisoquinolin-1-amine?
The IUPAC name of 5-prop-1-en-2-ylisoquinolin-1-amine (CID 164902291) is 5-prop-1-en-2-ylisoquinolin-1-amine.
What is the SMILES notation for 5-prop-1-en-2-ylisoquinolin-1-amine?
The canonical SMILES for 5-prop-1-en-2-ylisoquinolin-1-amine is C=C(C)c1cccc2c(N)nccc12.
What is the InChIKey of 5-prop-1-en-2-ylisoquinolin-1-amine?
The InChIKey is NXCBSAZBWIUSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-8(2)9-4-3-5-11-10(9)6-7-14-12(11)13/h3-7H,1H2,2H3,(H2,13,14).
What are the key properties of 5-prop-1-en-2-ylisoquinolin-1-amine?
5-prop-1-en-2-ylisoquinolin-1-amine has a molecular weight of 184.24 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-ylisoquinolin-1-amine is sourced from PubChem (CID 164902291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).