5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide

C13H25N3O — CID 82852097

IUPAC5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide
SMILESCC(C)CN(CCC#N)C(=O)CCCC(C)N
InChIInChI=1S/C13H25N3O/c1-11(2)10-16(9-5-8-14)13(17)7-4-6-12(3)15/h11-12H,4-7,9-10,15H2,1-3H3
InChIKeyOQTLNPKSPGSLGS-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.90
Rot. Bonds8

About 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide

5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide (PubChem CID 82852097) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide
PubChem CID82852097
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide
SMILESCC(C)CN(CCC#N)C(=O)CCCC(C)N
InChIInChI=1S/C13H25N3O/c1-11(2)10-16(9-5-8-14)13(17)7-4-6-12(3)15/h11-12H,4-7,9-10,15H2,1-3H3
InChIKeyOQTLNPKSPGSLGS-UHFFFAOYSA-N
XLogP1.90
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pentanamide
CID 60948839
N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide
CID 60964117
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 60963440
(2R)-2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 78973558
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162671
3-(4-aminophenyl)-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 61114533
(2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 103929355
2-(2-aminoethoxy)-N-(2-cyanoethyl)-N-(2-methylpropyl)acetamide
CID 79473506
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-methylsulfonylbutanamide
CID 54873679
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide
CID 54873716
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide
CID 61174632
N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 60659898

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide?
The IUPAC name of 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide (CID 82852097) is 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide.
What is the SMILES notation for 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide?
The canonical SMILES for 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide is CC(C)CN(CCC#N)C(=O)CCCC(C)N.
What is the InChIKey of 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide?
The InChIKey is OQTLNPKSPGSLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)10-16(9-5-8-14)13(17)7-4-6-12(3)15/h11-12H,4-7,9-10,15H2,1-3H3.
What are the key properties of 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide?
5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide has a molecular weight of 239.36 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide is sourced from PubChem (CID 82852097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).