N-butyl-2-cyano-N-cyclopropylacetamide

C10H16N2O — CID 61443044

IUPACN-butyl-2-cyano-N-cyclopropylacetamide
SMILESCCCCN(C(=O)CC#N)C1CC1
InChIInChI=1S/C10H16N2O/c1-2-3-8-12(9-4-5-9)10(13)6-7-11/h9H,2-6,8H2,1H3
InChIKeyNTFHFOXVTVWIJT-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.69
Rot. Bonds5

About N-butyl-2-cyano-N-cyclopropylacetamide

N-butyl-2-cyano-N-cyclopropylacetamide (PubChem CID 61443044) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-butyl-2-cyano-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-butyl-2-cyano-N-cyclopropylacetamide
PubChem CID61443044
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-butyl-2-cyano-N-cyclopropylacetamide
SMILESCCCCN(C(=O)CC#N)C1CC1
InChIInChI=1S/C10H16N2O/c1-2-3-8-12(9-4-5-9)10(13)6-7-11/h9H,2-6,8H2,1H3
InChIKeyNTFHFOXVTVWIJT-UHFFFAOYSA-N
XLogP1.69
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102684534
3-amino-N-butyl-N-cyclopropylpropanamide
CID 60944847
2-(azetidin-3-yl)-N-butyl-N-cyclopropylacetamide
CID 64611798
N-(2-cyanoethyl)-N-cyclopentylpentanamide
CID 98014383
N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide
CID 114291231
N-butyl-N-cyclopropyl-2-(propan-2-ylamino)acetamide
CID 60945634
3-amino-N-butyl-N-cyclopropyl-3-hydroxyiminopropanamide
CID 61443811
2-(4-aminopiperidin-1-yl)-N-butyl-N-cyclopropylacetamide
CID 79328313
N-butyl-N-cyclopropyl-3-piperidin-4-ylpropanamide
CID 62210210
N-(3-aminopropyl)-N-cyclopropyloctanamide
CID 43136708
1-butyl-1,3-dicyclopropylurea
CID 115579407
N-butyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 115579406

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-cyano-N-cyclopropylacetamide?
The IUPAC name of N-butyl-2-cyano-N-cyclopropylacetamide (CID 61443044) is N-butyl-2-cyano-N-cyclopropylacetamide.
What is the SMILES notation for N-butyl-2-cyano-N-cyclopropylacetamide?
The canonical SMILES for N-butyl-2-cyano-N-cyclopropylacetamide is CCCCN(C(=O)CC#N)C1CC1.
What is the InChIKey of N-butyl-2-cyano-N-cyclopropylacetamide?
The InChIKey is NTFHFOXVTVWIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-3-8-12(9-4-5-9)10(13)6-7-11/h9H,2-6,8H2,1H3.
What are the key properties of N-butyl-2-cyano-N-cyclopropylacetamide?
N-butyl-2-cyano-N-cyclopropylacetamide has a molecular weight of 180.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-cyano-N-cyclopropylacetamide is sourced from PubChem (CID 61443044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).