N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide

C11H21N3O — CID 60841146

IUPACN-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide
SMILESCNCCCC(=O)N(CCC#N)C(C)C
InChIInChI=1S/C11H21N3O/c1-10(2)14(9-5-7-12)11(15)6-4-8-13-3/h10,13H,4-6,8-9H2,1-3H3
InChIKeyNSHMDKQVRGXXSU-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.14
Rot. Bonds7

About N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide

N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide (PubChem CID 60841146) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide
PubChem CID60841146
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide
SMILESCNCCCC(=O)N(CCC#N)C(C)C
InChIInChI=1S/C11H21N3O/c1-10(2)14(9-5-7-12)11(15)6-4-8-13-3/h10,13H,4-6,8-9H2,1-3H3
InChIKeyNSHMDKQVRGXXSU-UHFFFAOYSA-N
XLogP1.14
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide 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

N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide
CID 60841865
N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide
CID 60964117
4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946124
N-(2-cyanoethyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850594
4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide
CID 81071767
N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide
CID 79286034
N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107026383
2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide
CID 64685385
N-(2-cyanoethyl)-N-propan-2-yl-2-sulfanylpropanamide
CID 107026385
N-(cyanomethyl)-N-propan-2-yldecanamide
CID 65449531
N-(2-cyanoethyl)-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 62367088
4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride
CID 119672594

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide?
The IUPAC name of N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide (CID 60841146) is N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide?
The canonical SMILES for N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide is CNCCCC(=O)N(CCC#N)C(C)C.
What is the InChIKey of N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide?
The InChIKey is NSHMDKQVRGXXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(2)14(9-5-7-12)11(15)6-4-8-13-3/h10,13H,4-6,8-9H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide?
N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide has a molecular weight of 211.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 60841146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).