1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one

C14H18N2O — CID 115234876

IUPAC1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one
SMILESCC(=O)CN(C)Cc1cn(C)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-11(17)8-15(2)9-12-10-16(3)14-7-5-4-6-13(12)14/h4-7,10H,8-9H2,1-3H3
InChIKeyYERWKVQOCQHIHT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.20
Rot. Bonds4

About 1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one

1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one (PubChem CID 115234876) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one.

Molecular Properties

Compound Name1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one
PubChem CID115234876
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one
SMILESCC(=O)CN(C)Cc1cn(C)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-11(17)8-15(2)9-12-10-16(3)14-7-5-4-6-13(12)14/h4-7,10H,8-9H2,1-3H3
InChIKeyYERWKVQOCQHIHT-UHFFFAOYSA-N
XLogP2.20
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one 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

N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
CID 140589591
2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid
CID 115240773
3-[methyl-[(1-methylindol-3-yl)methyl]amino]propane-1-thiol
CID 115225013
N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide
CID 115166394
2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol
CID 115135394
N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810
2-N-methyl-2-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine
CID 115124520
4-(1-methylindol-3-yl)butanamide
CID 175206986
2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid
CID 65058560
1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile
CID 115242386
N-(2-iodophenyl)-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 134971385
N-cyclopropyl-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 67395295

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one?
The IUPAC name of 1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one (CID 115234876) is 1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one.
What is the SMILES notation for 1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one?
The canonical SMILES for 1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one is CC(=O)CN(C)Cc1cn(C)c2ccccc12.
What is the InChIKey of 1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one?
The InChIKey is YERWKVQOCQHIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(17)8-15(2)9-12-10-16(3)14-7-5-4-6-13(12)14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one?
1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one has a molecular weight of 230.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one is sourced from PubChem (CID 115234876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).