(2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide

C12H23N3O — CID 107144573

IUPAC(2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide
SMILESCCCC[C@H](N)C(=O)N(CC)CC(C)C#N
InChIInChI=1S/C12H23N3O/c1-4-6-7-11(14)12(16)15(5-2)9-10(3)8-13/h10-11H,4-7,9,14H2,1-3H3/t10?,11-/m0/s1
InChIKeyUGVQVSCWGNNDFB-DTIOYNMSSA-N
MW225.34 g/mol
LogP1.51
Rot. Bonds7

About (2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide

(2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide (PubChem CID 107144573) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide
PubChem CID107144573
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide
SMILESCCCC[C@H](N)C(=O)N(CC)CC(C)C#N
InChIInChI=1S/C12H23N3O/c1-4-6-7-11(14)12(16)15(5-2)9-10(3)8-13/h10-11H,4-7,9,14H2,1-3H3/t10?,11-/m0/s1
InChIKeyUGVQVSCWGNNDFB-DTIOYNMSSA-N
XLogP1.51
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-cyanopropyl)-N-ethyl-4-phenylbutanamide
CID 114926862
2-amino-N-(2-cyanopropyl)-N-methylpentanamide
CID 60963784
2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide
CID 63225035
4-amino-N-(2-cyanopropyl)-N-ethylbutanamide
CID 60962664
3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid
CID 103869271
2-amino-N-methyl-N-(2-methylbutyl)hexanamide
CID 60854026
2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide
CID 63692347
(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylhexanamide
CID 103831646
(2R)-2-amino-N-ethyl-N-(2-ethylbutyl)pentanamide
CID 103795380
(2R)-2-amino-N,N-dimethylhexanamide
CID 87696829
(2S)-2-amino-N-(2-cyanoethyl)-N-propan-2-ylhexanamide
CID 107143877
7-amino-N-(2-cyanopropyl)-N-ethylheptanamide
CID 54873246

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide (CID 107144573) is (2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide is CCCC[C@H](N)C(=O)N(CC)CC(C)C#N.
What is the InChIKey of (2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide?
The InChIKey is UGVQVSCWGNNDFB-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-6-7-11(14)12(16)15(5-2)9-10(3)8-13/h10-11H,4-7,9,14H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide?
(2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide has a molecular weight of 225.34 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide is sourced from PubChem (CID 107144573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).