2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine

C15H22N2 — CID 142001895

IUPAC2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine
SMILESCC(C)=CNCC1CN(C)Cc2ccccc21
InChIInChI=1S/C15H22N2/c1-12(2)8-16-9-14-11-17(3)10-13-6-4-5-7-15(13)14/h4-8,14,16H,9-11H2,1-3H3
InChIKeyKEIQTIJRSNEWCL-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.73
Rot. Bonds3

About 2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine

2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine (PubChem CID 142001895) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine
PubChem CID142001895
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine
SMILESCC(C)=CNCC1CN(C)Cc2ccccc21
InChIInChI=1S/C15H22N2/c1-12(2)8-16-9-14-11-17(3)10-13-6-4-5-7-15(13)14/h4-8,14,16H,9-11H2,1-3H3
InChIKeyKEIQTIJRSNEWCL-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine?
The IUPAC name of 2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine (CID 142001895) is 2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine is CC(C)=CNCC1CN(C)Cc2ccccc21.
What is the InChIKey of 2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine?
The InChIKey is KEIQTIJRSNEWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12(2)8-16-9-14-11-17(3)10-13-6-4-5-7-15(13)14/h4-8,14,16H,9-11H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine?
2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine has a molecular weight of 230.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methyl]prop-1-en-1-amine is sourced from PubChem (CID 142001895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).