1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide

C14H17N3O — CID 115182529

IUPAC1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide
SMILESCn1cc(NC(=O)C2(CN)CC2)c2ccccc21
InChIInChI=1S/C14H17N3O/c1-17-8-11(10-4-2-3-5-12(10)17)16-13(18)14(9-15)6-7-14/h2-5,8H,6-7,9,15H2,1H3,(H,16,18)
InChIKeyZAANQKREDZXARN-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.86
Rot. Bonds3

About 1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide (PubChem CID 115182529) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide
PubChem CID115182529
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide
SMILESCn1cc(NC(=O)C2(CN)CC2)c2ccccc21
InChIInChI=1S/C14H17N3O/c1-17-8-11(10-4-2-3-5-12(10)17)16-13(18)14(9-15)6-7-14/h2-5,8H,6-7,9,15H2,1H3,(H,16,18)
InChIKeyZAANQKREDZXARN-UHFFFAOYSA-N
XLogP1.86
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 113312782
4-amino-N-(1-methylindol-3-yl)pentanamide
CID 115156554
3-(1-methylindol-3-yl)-1,1-dipropylurea
CID 40519468
2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide
CID 115187165
3-methyl-4-[(1-methylindol-3-yl)amino]-4-oxobutanoic acid
CID 115164456
1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide
CID 113312751
(3R,5S)-3,5-dimethyl-N-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 42551679
[1-(1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278323
1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea
CID 16813050
1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea
CID 16813051
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]benzoic acid
CID 115448247
1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide
CID 115453581

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide (CID 115182529) is 1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide is Cn1cc(NC(=O)C2(CN)CC2)c2ccccc21.
What is the InChIKey of 1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is ZAANQKREDZXARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-8-11(10-4-2-3-5-12(10)17)16-13(18)14(9-15)6-7-14/h2-5,8H,6-7,9,15H2,1H3,(H,16,18).
What are the key properties of 1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115182529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).