2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide

C14H19N3O — CID 115186828

IUPAC2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide
SMILESCCC(CN)C(=O)Nc1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H19N3O/c1-3-10(8-15)14(18)17-13-9(2)16-12-7-5-4-6-11(12)13/h4-7,10,16H,3,8,15H2,1-2H3,(H,17,18)
InChIKeyNIHAIYRFLTTXPU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.40
Rot. Bonds4

About 2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide

2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide (PubChem CID 115186828) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide
PubChem CID115186828
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide
SMILESCCC(CN)C(=O)Nc1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H19N3O/c1-3-10(8-15)14(18)17-13-9(2)16-12-7-5-4-6-11(12)13/h4-7,10,16H,3,8,15H2,1-2H3,(H,17,18)
InChIKeyNIHAIYRFLTTXPU-UHFFFAOYSA-N
XLogP2.40
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-1H-indol-3-yl)octanamide
CID 146096464
2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide
CID 107599748
3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide
CID 146109310
4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide
CID 115157504
2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115186562
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methyl-1H-indol-3-yl)propanamide
CID 112527043
2-(aminomethyl)-N-(4-phenylphenyl)butanamide
CID 62254928
2-(4-aminotriazol-1-yl)-N-(2-methyl-1H-indol-3-yl)acetamide
CID 112527109
2-(1-methylcyclohexyl)-N-(2-methyl-1H-indol-3-yl)acetamide
CID 146096465
ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate
CID 2157344
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
CID 115199020

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide (CID 115186828) is 2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide is CCC(CN)C(=O)Nc1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide?
The InChIKey is NIHAIYRFLTTXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-10(8-15)14(18)17-13-9(2)16-12-7-5-4-6-11(12)13/h4-7,10,16H,3,8,15H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide?
2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide has a molecular weight of 245.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 115186828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).