2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine

C13H18N2 — CID 167201837

IUPAC2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESC=C(C)c1cc(N)cc2c1CCN(C)C2
InChIInChI=1S/C13H18N2/c1-9(2)13-7-11(14)6-10-8-15(3)5-4-12(10)13/h6-7H,1,4-5,8,14H2,2-3H3
InChIKeyLMFNBTPTXJYRON-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.29
Rot. Bonds1

About 2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine

2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 167201837) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID167201837
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESC=C(C)c1cc(N)cc2c1CCN(C)C2
InChIInChI=1S/C13H18N2/c1-9(2)13-7-11(14)6-10-8-15(3)5-4-12(10)13/h6-7H,1,4-5,8,14H2,2-3H3
InChIKeyLMFNBTPTXJYRON-UHFFFAOYSA-N
XLogP2.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine (CID 167201837) is 2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine is C=C(C)c1cc(N)cc2c1CCN(C)C2.
What is the InChIKey of 2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is LMFNBTPTXJYRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9(2)13-7-11(14)6-10-8-15(3)5-4-12(10)13/h6-7H,1,4-5,8,14H2,2-3H3.
What are the key properties of 2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine?
2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 202.30 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 167201837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).