2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide

C11H21N3O — CID 115432472

IUPAC2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)NC(C)CC#N
InChIInChI=1S/C11H21N3O/c1-4-11(5-2,8-13)10(15)14-9(3)6-7-12/h9H,4-6,8,13H2,1-3H3,(H,14,15)
InChIKeyIRGQYZPWRWRNAL-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.17
Rot. Bonds6

About 2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide

2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide (PubChem CID 115432472) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide
PubChem CID115432472
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)NC(C)CC#N
InChIInChI=1S/C11H21N3O/c1-4-11(5-2,8-13)10(15)14-9(3)6-7-12/h9H,4-6,8,13H2,1-3H3,(H,14,15)
InChIKeyIRGQYZPWRWRNAL-UHFFFAOYSA-N
XLogP1.17
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide
CID 115432428
2-amino-N-(1-cyanopropan-2-yl)-2-methylpentanamide
CID 62093373
2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide
CID 115760359
2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide
CID 106344659
N-[(2R)-1-cyanopropan-2-yl]acetamide
CID 55299754
(2S)-2-amino-N-(1-cyanopropan-2-yl)propanamide
CID 62093737
2-amino-N-(1-cyanopropan-2-yl)-2-phenylpropanamide
CID 62489019
1-(1-cyanopropan-2-yl)-3-propan-2-ylurea
CID 62092806
2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide
CID 64568514
2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide
CID 115432548
(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825290
N-(1-cyanopropan-2-yl)-2-methylpentanamide
CID 62094798

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide (CID 115432472) is 2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide is CCC(CC)(CN)C(=O)NC(C)CC#N.
What is the InChIKey of 2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide?
The InChIKey is IRGQYZPWRWRNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-11(5-2,8-13)10(15)14-9(3)6-7-12/h9H,4-6,8,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide?
2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide has a molecular weight of 211.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide is sourced from PubChem (CID 115432472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).