2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide

C13H25N3O — CID 54979648

IUPAC2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(CC)CC(C)C#N
InChIInChI=1S/C13H25N3O/c1-5-12(6-2)15-13(17)10-16(7-3)9-11(4)8-14/h11-12H,5-7,9-10H2,1-4H3,(H,15,17)
InChIKeyBLQQMFXZQGPUEP-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.77
Rot. Bonds8

About 2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide

2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide (PubChem CID 54979648) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide
PubChem CID54979648
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(CC)CC(C)C#N
InChIInChI=1S/C13H25N3O/c1-5-12(6-2)15-13(17)10-16(7-3)9-11(4)8-14/h11-12H,5-7,9-10H2,1-4H3,(H,15,17)
InChIKeyBLQQMFXZQGPUEP-UHFFFAOYSA-N
XLogP1.77
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide
CID 60585362
2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 61450794
2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 55207660
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide
CID 103367802
2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 47069094
3-[[2-(4-chlorophenyl)-2-oxoethyl]-ethylamino]-2-methylpropanenitrile
CID 62036012
N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide
CID 54988178
2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 60674387
N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide
CID 54983448
2-[(3-amino-3-sulfanylidenepropyl)-ethylamino]-N-pentan-3-ylacetamide
CID 54992977
4-[2-[2-cyanopropyl(ethyl)amino]acetyl]benzonitrile
CID 62034878
3-[ethyl-[2-(propylaminomethyl)prop-2-enyl]amino]-2-methylpropanenitrile
CID 103069947

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide (CID 54979648) is 2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN(CC)CC(C)C#N.
What is the InChIKey of 2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide?
The InChIKey is BLQQMFXZQGPUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-12(6-2)15-13(17)10-16(7-3)9-11(4)8-14/h11-12H,5-7,9-10H2,1-4H3,(H,15,17).
What are the key properties of 2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide?
2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide has a molecular weight of 239.36 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 54979648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).