N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

C15H20N2O — CID 113498609

IUPACN-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESC=C(C)CN(C)C(=O)C1NCCc2ccccc21
InChIInChI=1S/C15H20N2O/c1-11(2)10-17(3)15(18)14-13-7-5-4-6-12(13)8-9-16-14/h4-7,14,16H,1,8-10H2,2-3H3
InChIKeyLAZKUVOUEWGUMQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.91
Rot. Bonds3

About N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 113498609) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID113498609
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESC=C(C)CN(C)C(=O)C1NCCc2ccccc21
InChIInChI=1S/C15H20N2O/c1-11(2)10-17(3)15(18)14-13-7-5-4-6-12(13)8-9-16-14/h4-7,14,16H,1,8-10H2,2-3H3
InChIKeyLAZKUVOUEWGUMQ-UHFFFAOYSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide with MolForge

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Related Compounds

1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 79177948
N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107734433
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 91659747
1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride
CID 173135216
sodium (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 122531352
N-(2-methoxyethyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 82948210
N-methyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-inden-1-amine
CID 134049939
(4-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116561967
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 116561998
3-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-one
CID 116562104

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 113498609) is N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is C=C(C)CN(C)C(=O)C1NCCc2ccccc21.
What is the InChIKey of N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is LAZKUVOUEWGUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)10-17(3)15(18)14-13-7-5-4-6-12(13)8-9-16-14/h4-7,14,16H,1,8-10H2,2-3H3.
What are the key properties of N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylprop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 113498609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).