N-(1-cyanobutyl)-2,2-dimethylpropanamide

C10H18N2O — CID 61119497

IUPACN-(1-cyanobutyl)-2,2-dimethylpropanamide
SMILESCCCC(C#N)NC(=O)C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-5-6-8(7-11)12-9(13)10(2,3)4/h8H,5-6H2,1-4H3,(H,12,13)
InChIKeyUINULDAWIAUZKE-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.84
Rot. Bonds3

About N-(1-cyanobutyl)-2,2-dimethylpropanamide

N-(1-cyanobutyl)-2,2-dimethylpropanamide (PubChem CID 61119497) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(1-cyanobutyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-2,2-dimethylpropanamide
PubChem CID61119497
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(1-cyanobutyl)-2,2-dimethylpropanamide
SMILESCCCC(C#N)NC(=O)C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-5-6-8(7-11)12-9(13)10(2,3)4/h8H,5-6H2,1-4H3,(H,12,13)
InChIKeyUINULDAWIAUZKE-UHFFFAOYSA-N
XLogP1.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyanobutyl)-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-pentylacetamide
CID 4462806
N-[3-[(1-cyano-3-methylbutyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 53564117
N-(1-cyano-3-methylbutyl)-4-methylpentanamide
CID 53583750
N-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 56823339
2-cyano-3,3-dimethyl-N-propan-2-ylbutanamide
CID 76320118
2-cyano-3,3-dimethyl-N-(3-methylbutan-2-yl)butanamide
CID 76320119
2-cyano-N-hexylacetamide
CID 4379529
2-cyano-N-(3,3-dimethylbutyl)acetamide
CID 10942848
N-(1-cyanobutyl)acetamide
CID 59373725
N-(3-amino-3-cyanopropyl)acetamide
CID 122707061
N-(1-cyanobutyl)-3,3,3-trifluoropropanamide
CID 61121265
2-cyano-2-ethyl-N-(4,4,4-trifluorobutan-2-yl)butanamide
CID 105935366

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-cyanobutyl)-2,2-dimethylpropanamide (CID 61119497) is N-(1-cyanobutyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-cyanobutyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-cyanobutyl)-2,2-dimethylpropanamide is CCCC(C#N)NC(=O)C(C)(C)C.
What is the InChIKey of N-(1-cyanobutyl)-2,2-dimethylpropanamide?
The InChIKey is UINULDAWIAUZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-6-8(7-11)12-9(13)10(2,3)4/h8H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-(1-cyanobutyl)-2,2-dimethylpropanamide?
N-(1-cyanobutyl)-2,2-dimethylpropanamide has a molecular weight of 182.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 61119497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).