2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide

C11H22N2O — CID 115760359

IUPAC2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide
SMILESC=CC(C)NC(=O)C(CC)(CC)CN
InChIInChI=1S/C11H22N2O/c1-5-9(4)13-10(14)11(6-2,7-3)8-12/h5,9H,1,6-8,12H2,2-4H3,(H,13,14)
InChIKeyHZSBZXRHMTVGMD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.44
Rot. Bonds6

About 2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide

2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide (PubChem CID 115760359) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide
PubChem CID115760359
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide
SMILESC=CC(C)NC(=O)C(CC)(CC)CN
InChIInChI=1S/C11H22N2O/c1-5-9(4)13-10(14)11(6-2,7-3)8-12/h5,9H,1,6-8,12H2,2-4H3,(H,13,14)
InChIKeyHZSBZXRHMTVGMD-UHFFFAOYSA-N
XLogP1.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide
CID 106344659
N-but-3-en-2-yl-2,2-dimethylpropanamide
CID 112698624
2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide
CID 115432472
2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide
CID 64568514
2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide
CID 115431597
2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide
CID 115432548
ethyl N-but-3-en-2-ylcarbamate
CID 55287045
(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825290
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide
CID 115432721
2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]-2-ethylbutanamide
CID 115432411
2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide
CID 115760321
N-but-3-en-2-yl-2-cyano-2-methylpropanamide
CID 115692171

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide (CID 115760359) is 2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide is C=CC(C)NC(=O)C(CC)(CC)CN.
What is the InChIKey of 2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide?
The InChIKey is HZSBZXRHMTVGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-9(4)13-10(14)11(6-2,7-3)8-12/h5,9H,1,6-8,12H2,2-4H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide?
2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide has a molecular weight of 198.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide is sourced from PubChem (CID 115760359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).