1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide

C14H17N3O — CID 115189880

IUPAC1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1c[nH]c2ccccc12)C(=O)C1(N)CC1
InChIInChI=1S/C14H17N3O/c1-17(13(18)14(15)6-7-14)9-10-8-16-12-5-3-2-4-11(10)12/h2-5,8,16H,6-7,9,15H2,1H3
InChIKeyHBPRSLWLVBJSED-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.62
Rot. Bonds3

About 1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide

1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 115189880) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide
PubChem CID115189880
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1c[nH]c2ccccc12)C(=O)C1(N)CC1
InChIInChI=1S/C14H17N3O/c1-17(13(18)14(15)6-7-14)9-10-8-16-12-5-3-2-4-11(10)12/h2-5,8,16H,6-7,9,15H2,1H3
InChIKeyHBPRSLWLVBJSED-UHFFFAOYSA-N
XLogP1.62
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide 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'-(1H-indol-3-ylmethyl)-N'-methyloxamide
CID 115191974
methyl 2-[1H-indol-3-ylmethyl(methyl)amino]-2-oxoacetate
CID 115142476
(2S)-2-[(1-aminocyclopropanecarbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 65465990
2-[1H-indol-3-ylmethyl(methyl)amino]acetamide
CID 115259992
3-tert-butyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749012
1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 119281546
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
CID 119778812
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007
3-ethyl-1H-indole;methanamine
CID 142222050
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532
3-[1H-indol-3-ylmethyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117042973
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide (CID 115189880) is 1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide is CN(Cc1c[nH]c2ccccc12)C(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is HBPRSLWLVBJSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(13(18)14(15)6-7-14)9-10-8-16-12-5-3-2-4-11(10)12/h2-5,8,16H,6-7,9,15H2,1H3.
What are the key properties of 1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide?
1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1H-indol-3-ylmethyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115189880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).