2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide

C12H23N3O — CID 60585362

IUPAC2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide
SMILESCCN(CC(=O)N(CC)CC)CC(C)C#N
InChIInChI=1S/C12H23N3O/c1-5-14(9-11(4)8-13)10-12(16)15(6-2)7-3/h11H,5-7,9-10H2,1-4H3
InChIKeyKKOMNXLMLRVRTL-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.34
Rot. Bonds7

About 2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide

2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide (PubChem CID 60585362) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide
PubChem CID60585362
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide
SMILESCCN(CC(=O)N(CC)CC)CC(C)C#N
InChIInChI=1S/C12H23N3O/c1-5-14(9-11(4)8-13)10-12(16)15(6-2)7-3/h11H,5-7,9-10H2,1-4H3
InChIKeyKKOMNXLMLRVRTL-UHFFFAOYSA-N
XLogP1.34
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 61450794
N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide
CID 54983448
2-(diethylamino)-N,N-diethylacetamide
CID 13352066
2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide
CID 54979648
N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide
CID 52747596
2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
CID 87013152
N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide
CID 60962782
N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 87014013
3-[[2-(4-chlorophenyl)-2-oxoethyl]-ethylamino]-2-methylpropanenitrile
CID 62036012
4-[2-[2-cyanopropyl(ethyl)amino]acetyl]benzonitrile
CID 62034878
7-amino-N-(2-cyanopropyl)-N-ethylheptanamide
CID 54873246
4-amino-N-(2-cyanopropyl)-N-ethylbutanamide
CID 60962664

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide (CID 60585362) is 2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide is CCN(CC(=O)N(CC)CC)CC(C)C#N.
What is the InChIKey of 2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide?
The InChIKey is KKOMNXLMLRVRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-14(9-11(4)8-13)10-12(16)15(6-2)7-3/h11H,5-7,9-10H2,1-4H3.
What are the key properties of 2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide?
2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide has a molecular weight of 225.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 60585362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).