3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide

C14H27N3O — CID 113411328

IUPAC3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCCCC(C)(C)C#N
InChIInChI=1S/C14H27N3O/c1-5-17(6-2)13(18)8-11-16-10-7-9-14(3,4)12-15/h16H,5-11H2,1-4H3
InChIKeyFHYBHVODLXWHPH-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.16
Rot. Bonds9

About 3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide

3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide (PubChem CID 113411328) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide
PubChem CID113411328
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNCCCC(C)(C)C#N
InChIInChI=1S/C14H27N3O/c1-5-17(6-2)13(18)8-11-16-10-7-9-14(3,4)12-15/h16H,5-11H2,1-4H3
InChIKeyFHYBHVODLXWHPH-UHFFFAOYSA-N
XLogP2.16
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-(heptylamino)propanamide
CID 54936007
3-[2-[(4-cyano-4-methylpentyl)amino]ethyl]-1,1-dimethylurea
CID 83121552
5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305
5-[2-[ethyl(propyl)amino]ethylamino]-2,2-dimethylpentanenitrile
CID 114133524
2-[(4-cyano-4-methylpentyl)amino]acetamide
CID 65256262
5-(3-ethoxypropylamino)-2,2-dimethylpentanenitrile
CID 65256696
4-[3-(diethylamino)propylamino]-2,2-dimethylbutanenitrile
CID 65248790
N,N-diethyl-3-(2-ethylsulfonylethylamino)propanamide
CID 112695679
5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile
CID 65254266
4-(hexylamino)-2,2-dimethylbutanenitrile
CID 65253637
3-[[1-(cyanomethyl)cyclopropyl]methylamino]-N,N-diethylpropanamide
CID 113411333
methyl 3-[(4-cyano-4-methylpentyl)-ethylamino]propanoate
CID 65254927

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide (CID 113411328) is 3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNCCCC(C)(C)C#N.
What is the InChIKey of 3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide?
The InChIKey is FHYBHVODLXWHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-17(6-2)13(18)8-11-16-10-7-9-14(3,4)12-15/h16H,5-11H2,1-4H3.
What are the key properties of 3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide?
3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide has a molecular weight of 253.39 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-4-methylpentyl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 113411328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).