2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide

C11H21N3O — CID 63225035

IUPAC2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide
SMILESCCCCC(N)C(=O)N(C)C(C)CC#N
InChIInChI=1S/C11H21N3O/c1-4-5-6-10(13)11(15)14(3)9(2)7-8-12/h9-10H,4-7,13H2,1-3H3
InChIKeyGMCXZKXXEWVQCB-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.26
Rot. Bonds6

About 2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide

2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide (PubChem CID 63225035) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide.

Molecular Properties

Compound Name2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide
PubChem CID63225035
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide
SMILESCCCCC(N)C(=O)N(C)C(C)CC#N
InChIInChI=1S/C11H21N3O/c1-4-5-6-10(13)11(15)14(3)9(2)7-8-12/h9-10H,4-7,13H2,1-3H3
InChIKeyGMCXZKXXEWVQCB-UHFFFAOYSA-N
XLogP1.26
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-hydroxypropan-2-yl)-N-methylhexanamide
CID 104551721
(2R)-2-amino-N,N-dimethylhexanamide
CID 87696829
2-chloro-N-(1-cyanopropan-2-yl)-N-methylpropanamide
CID 63224261
(2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide
CID 107143877
N-(1-cyanopropan-2-yl)-N-methyldodecanamide
CID 63296980
2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid
CID 107145294
2-bromo-N-(1-cyanopropan-2-yl)-N-methylbutanamide
CID 63224173
(2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide
CID 107144573
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
(2R)-2-amino-N-(1-cyanopropan-2-yl)-N-methyl-2-phenylacetamide
CID 55174347
2-amino-N-methyl-N-(2-methylbutyl)hexanamide
CID 60854026
(2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide
CID 113357165

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide?
The IUPAC name of 2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide (CID 63225035) is 2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide.
What is the SMILES notation for 2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide?
The canonical SMILES for 2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide is CCCCC(N)C(=O)N(C)C(C)CC#N.
What is the InChIKey of 2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide?
The InChIKey is GMCXZKXXEWVQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-6-10(13)11(15)14(3)9(2)7-8-12/h9-10H,4-7,13H2,1-3H3.
What are the key properties of 2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide?
2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide has a molecular weight of 211.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide is sourced from PubChem (CID 63225035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).