2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide

C15H21N3O — CID 115432352

IUPAC2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide
SMILESCCC(CC)(CN)C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H21N3O/c1-3-15(4-2,10-16)14(19)18-12-5-6-13-11(9-12)7-8-17-13/h5-9,17H,3-4,10,16H2,1-2H3,(H,18,19)
InChIKeyOVKBXAOZMJJHOL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.87
Rot. Bonds5

About 2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide

2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide (PubChem CID 115432352) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide
PubChem CID115432352
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide
SMILESCCC(CC)(CN)C(=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H21N3O/c1-3-15(4-2,10-16)14(19)18-12-5-6-13-11(9-12)7-8-17-13/h5-9,17H,3-4,10,16H2,1-2H3,(H,18,19)
InChIKeyOVKBXAOZMJJHOL-UHFFFAOYSA-N
XLogP2.87
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide
CID 103732445
(2S)-2-amino-N-(1H-indol-5-yl)butanamide;hydrochloride
CID 119278221
1-(2,2-diethyl-4-hydroxybutyl)-3-(1H-indol-5-yl)urea
CID 111521138
2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide
CID 113308965
5-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-hydroxybenzoic acid
CID 115432252
5-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylbenzoic acid
CID 115432532
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide
CID 115432410
2-(aminomethyl)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 115431722
2-amino-N-(1H-indol-5-yl)hexanamide
CID 61248761
2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide
CID 115431812
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
1-(aminomethyl)-N-(1H-indol-5-yl)cyclopentane-1-carboxamide
CID 81489854

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide (CID 115432352) is 2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide is CCC(CC)(CN)C(=O)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide?
The InChIKey is OVKBXAOZMJJHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-15(4-2,10-16)14(19)18-12-5-6-13-11(9-12)7-8-17-13/h5-9,17H,3-4,10,16H2,1-2H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide?
2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide has a molecular weight of 259.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-(1H-indol-5-yl)butanamide is sourced from PubChem (CID 115432352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).