4-amino-N-(2-cyanopropyl)-N-ethylbutanamide

C10H19N3O — CID 60962664

IUPAC4-amino-N-(2-cyanopropyl)-N-ethylbutanamide
SMILESCCN(CC(C)C#N)C(=O)CCCN
InChIInChI=1S/C10H19N3O/c1-3-13(8-9(2)7-12)10(14)5-4-6-11/h9H,3-6,8,11H2,1-2H3
InChIKeyQYRJGXQBYSYMIE-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.73
Rot. Bonds6

About 4-amino-N-(2-cyanopropyl)-N-ethylbutanamide

4-amino-N-(2-cyanopropyl)-N-ethylbutanamide (PubChem CID 60962664) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-amino-N-(2-cyanopropyl)-N-ethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanopropyl)-N-ethylbutanamide
PubChem CID60962664
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-amino-N-(2-cyanopropyl)-N-ethylbutanamide
SMILESCCN(CC(C)C#N)C(=O)CCCN
InChIInChI=1S/C10H19N3O/c1-3-13(8-9(2)7-12)10(14)5-4-6-11/h9H,3-6,8,11H2,1-2H3
InChIKeyQYRJGXQBYSYMIE-UHFFFAOYSA-N
XLogP0.73
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide
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(2S)-2-amino-N-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]-3-methylbutanamide
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N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide
CID 94822045
(2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide
CID 107144573
2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide
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4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43579108
4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide
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N-(2-cyanopropyl)-N-ethyl-3-piperidin-2-ylpropanamide
CID 55049291

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanopropyl)-N-ethylbutanamide?
The IUPAC name of 4-amino-N-(2-cyanopropyl)-N-ethylbutanamide (CID 60962664) is 4-amino-N-(2-cyanopropyl)-N-ethylbutanamide.
What is the SMILES notation for 4-amino-N-(2-cyanopropyl)-N-ethylbutanamide?
The canonical SMILES for 4-amino-N-(2-cyanopropyl)-N-ethylbutanamide is CCN(CC(C)C#N)C(=O)CCCN.
What is the InChIKey of 4-amino-N-(2-cyanopropyl)-N-ethylbutanamide?
The InChIKey is QYRJGXQBYSYMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-13(8-9(2)7-12)10(14)5-4-6-11/h9H,3-6,8,11H2,1-2H3.
What are the key properties of 4-amino-N-(2-cyanopropyl)-N-ethylbutanamide?
4-amino-N-(2-cyanopropyl)-N-ethylbutanamide has a molecular weight of 197.28 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanopropyl)-N-ethylbutanamide is sourced from PubChem (CID 60962664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).