N-(cyanomethyl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide

C11H21N3O — CID 176757859

IUPACN-(cyanomethyl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(CC#N)CCCN(C)C
InChIInChI=1S/C11H21N3O/c1-10(2)11(15)14(9-6-12)8-5-7-13(3)4/h10H,5,7-9H2,1-4H3
InChIKeyKEBFYDOPKWOMHO-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.95
Rot. Bonds6

About N-(cyanomethyl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide

N-(cyanomethyl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide (PubChem CID 176757859) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(cyanomethyl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
PubChem CID176757859
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(cyanomethyl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(CC#N)CCCN(C)C
InChIInChI=1S/C11H21N3O/c1-10(2)11(15)14(9-6-12)8-5-7-13(3)4/h10H,5,7-9H2,1-4H3
InChIKeyKEBFYDOPKWOMHO-UHFFFAOYSA-N
XLogP0.95
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992823
2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992838
N-(cyanomethyl)-2-methylsulfonyl-N-propylpropanamide
CID 112686400
2-chloro-N-(cyanomethyl)-N-ethylpropanamide
CID 131223053
2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid
CID 103802734
1,1-bis(cyanomethyl)-3,3-dimethylurea
CID 116653848
4-(dimethylamino)butanenitrile;hydrobromide
CID 46786342
(2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide
CID 61163638
(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102992753
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanamide
CID 102992755
3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid
CID 64896902
1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102978850

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The IUPAC name of N-(cyanomethyl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide (CID 176757859) is N-(cyanomethyl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide.
What is the SMILES notation for N-(cyanomethyl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The canonical SMILES for N-(cyanomethyl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide is CC(C)C(=O)N(CC#N)CCCN(C)C.
What is the InChIKey of N-(cyanomethyl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The InChIKey is KEBFYDOPKWOMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(2)11(15)14(9-6-12)8-5-7-13(3)4/h10H,5,7-9H2,1-4H3.
What are the key properties of N-(cyanomethyl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
N-(cyanomethyl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide has a molecular weight of 211.31 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide is sourced from PubChem (CID 176757859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).