N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide

C12H23N3O — CID 60964117

IUPACN-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide
SMILESCNCCCC(=O)N(CCC#N)CC(C)C
InChIInChI=1S/C12H23N3O/c1-11(2)10-15(9-5-7-13)12(16)6-4-8-14-3/h11,14H,4-6,8-10H2,1-3H3
InChIKeyMBZKUSUCKOLZTL-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.38
Rot. Bonds8

About N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide

N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide (PubChem CID 60964117) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide
PubChem CID60964117
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide
SMILESCNCCCC(=O)N(CCC#N)CC(C)C
InChIInChI=1S/C12H23N3O/c1-11(2)10-15(9-5-7-13)12(16)6-4-8-14-3/h11,14H,4-6,8-10H2,1-3H3
InChIKeyMBZKUSUCKOLZTL-UHFFFAOYSA-N
XLogP1.38
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.38
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

5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide
CID 60948839
5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide
CID 82852097
N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide
CID 60841146
N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide
CID 60841865
4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride
CID 119672594
N-(2-cyanoethyl)-3-(ethylamino)-N-(2-methylpropyl)butanamide
CID 62837091
(2R)-2-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 78974760
4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946124
3-(4-aminophenyl)-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 61114533
(2R)-2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 78973558
N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 60659898
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-sulfanylpropanamide
CID 107026876

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide?
The IUPAC name of N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide (CID 60964117) is N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide?
The canonical SMILES for N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide is CNCCCC(=O)N(CCC#N)CC(C)C.
What is the InChIKey of N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide?
The InChIKey is MBZKUSUCKOLZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(2)10-15(9-5-7-13)12(16)6-4-8-14-3/h11,14H,4-6,8-10H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide?
N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide has a molecular weight of 225.34 g/mol, XLogP of 1.38, 8 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-(2-methylpropyl)butanamide is sourced from PubChem (CID 60964117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).