2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide

C13H22N2O — CID 114291545

IUPAC2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide
SMILESCCC(CC1CC1)NC(=O)C(C)(C#N)CC
InChIInChI=1S/C13H22N2O/c1-4-11(8-10-6-7-10)15-12(16)13(3,5-2)9-14/h10-11H,4-8H2,1-3H3,(H,15,16)
InChIKeyDWBWCIDQYUMOCX-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.62
Rot. Bonds6

About 2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide

2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide (PubChem CID 114291545) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide
PubChem CID114291545
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide
SMILESCCC(CC1CC1)NC(=O)C(C)(C#N)CC
InChIInChI=1S/C13H22N2O/c1-4-11(8-10-6-7-10)15-12(16)13(3,5-2)9-14/h10-11H,4-8H2,1-3H3,(H,15,16)
InChIKeyDWBWCIDQYUMOCX-UHFFFAOYSA-N
XLogP2.62
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[tert-butyl(1-cyclopropylbutan-2-ylcarbamoyl)amino]acetic acid
CID 79256531
(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
CID 164637874
2-cyano-N-hydroxy-2-methylbutanamide
CID 127007084
2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide
CID 113270371
4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid
CID 63994833
cis-(1S,2R)-2-(1-cyclopropylbutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114092378
2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide
CID 114291632
2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide
CID 106350117
2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296190
2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide
CID 114291149
tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide
CID 62645637

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide?
The IUPAC name of 2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide (CID 114291545) is 2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide is CCC(CC1CC1)NC(=O)C(C)(C#N)CC.
What is the InChIKey of 2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide?
The InChIKey is DWBWCIDQYUMOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-11(8-10-6-7-10)15-12(16)13(3,5-2)9-14/h10-11H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide?
2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide has a molecular weight of 222.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-cyclopropylbutan-2-yl)-2-methylbutanamide is sourced from PubChem (CID 114291545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).