2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine

C14H18N2 — CID 107236321

IUPAC2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
SMILESC=C(C)CNCc1cn(C)c2ccccc12
InChIInChI=1S/C14H18N2/c1-11(2)8-15-9-12-10-16(3)14-7-5-4-6-13(12)14/h4-7,10,15H,1,8-9H2,2-3H3
InChIKeyXZBURABXXHARNJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.84
Rot. Bonds4

About 2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine

2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine (PubChem CID 107236321) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
PubChem CID107236321
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
SMILESC=C(C)CNCc1cn(C)c2ccccc12
InChIInChI=1S/C14H18N2/c1-11(2)8-15-9-12-10-16(3)14-7-5-4-6-13(12)14/h4-7,10,15H,1,8-9H2,2-3H3
InChIKeyXZBURABXXHARNJ-UHFFFAOYSA-N
XLogP2.84
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236179
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
1-amino-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 115121377
3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine
CID 107235802
4-[[(1-methylindol-3-yl)methylamino]methyl]aniline
CID 115212478
2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine
CID 115222251
2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine
CID 107236106
1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 107235921
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
1-(dimethylamino)-2-methyl-3-[(1-methylindol-3-yl)methylamino]propan-2-ol
CID 106145375
N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine (CID 107236321) is 2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine is C=C(C)CNCc1cn(C)c2ccccc12.
What is the InChIKey of 2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine?
The InChIKey is XZBURABXXHARNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11(2)8-15-9-12-10-16(3)14-7-5-4-6-13(12)14/h4-7,10,15H,1,8-9H2,2-3H3.
What are the key properties of 2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine?
2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 107236321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).