1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide

C13H15N3O — CID 115182528

IUPAC1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C13H15N3O/c14-8-13(5-6-13)12(17)16-11-7-15-10-4-2-1-3-9(10)11/h1-4,7,15H,5-6,8,14H2,(H,16,17)
InChIKeyXDQBETBRSTUOEK-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.85
Rot. Bonds3

About 1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 115182528) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID115182528
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C13H15N3O/c14-8-13(5-6-13)12(17)16-11-7-15-10-4-2-1-3-9(10)11/h1-4,7,15H,5-6,8,14H2,(H,16,17)
InChIKeyXDQBETBRSTUOEK-UHFFFAOYSA-N
XLogP1.85
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-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

1H-indol-3-ylcarbamic acid
CID 66672709
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
4-hydroxy-N-(1H-indol-3-yl)butanamide
CID 115162786
1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 113312782
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
N'-(1H-indol-3-yl)methanediamine
CID 115225408
N-(1H-indol-3-yl)pyrrolidine-1-carboxamide
CID 7615879
1H-indol-3-ylthiourea;hydroiodide
CID 173290305
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]benzoic acid
CID 115448247
1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
CID 7615867
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]benzamide
CID 115434729

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide (CID 115182528) is 1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide is NCC1(C(=O)Nc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is XDQBETBRSTUOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-8-13(5-6-13)12(17)16-11-7-15-10-4-2-1-3-9(10)11/h1-4,7,15H,5-6,8,14H2,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115182528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).