(2S)-2-amino-N-hex-1-yn-3-ylhexanamide

C12H22N2O — CID 106230639

IUPAC(2S)-2-amino-N-hex-1-yn-3-ylhexanamide
SMILESC#CC(CCC)NC(=O)[C@@H](N)CCCC
InChIInChI=1S/C12H22N2O/c1-4-7-9-11(13)12(15)14-10(6-3)8-5-2/h3,10-11H,4-5,7-9,13H2,1-2H3,(H,14,15)/t10?,11-/m0/s1
InChIKeyBJXUTBSLHITPMV-DTIOYNMSSA-N
MW210.32 g/mol
LogP1.42
Rot. Bonds7

About (2S)-2-amino-N-hex-1-yn-3-ylhexanamide

(2S)-2-amino-N-hex-1-yn-3-ylhexanamide (PubChem CID 106230639) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2S)-2-amino-N-hex-1-yn-3-ylhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-hex-1-yn-3-ylhexanamide
PubChem CID106230639
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2S)-2-amino-N-hex-1-yn-3-ylhexanamide
SMILESC#CC(CCC)NC(=O)[C@@H](N)CCCC
InChIInChI=1S/C12H22N2O/c1-4-7-9-11(13)12(15)14-10(6-3)8-5-2/h3,10-11H,4-5,7-9,13H2,1-2H3,(H,14,15)/t10?,11-/m0/s1
InChIKeyBJXUTBSLHITPMV-DTIOYNMSSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide
CID 106230696
(2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide
CID 106230687
N-hex-1-yn-3-yl-2-sulfanylpropanamide
CID 106229841
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide
CID 107143870
N-hex-1-yn-3-yl-2-methoxypropanamide
CID 103528920
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
CID 107145775
(2R)-2-amino-N-octan-4-ylbutanamide
CID 104878219
(2S)-2-(2-aminohexanoylamino)propanoic acid
CID 51063258
2-(hex-1-yn-3-ylamino)-2-oxoacetic acid
CID 106232888
2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]hexanamide
CID 61467506
2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103869500

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-hex-1-yn-3-ylhexanamide?
The IUPAC name of (2S)-2-amino-N-hex-1-yn-3-ylhexanamide (CID 106230639) is (2S)-2-amino-N-hex-1-yn-3-ylhexanamide.
What is the SMILES notation for (2S)-2-amino-N-hex-1-yn-3-ylhexanamide?
The canonical SMILES for (2S)-2-amino-N-hex-1-yn-3-ylhexanamide is C#CC(CCC)NC(=O)[C@@H](N)CCCC.
What is the InChIKey of (2S)-2-amino-N-hex-1-yn-3-ylhexanamide?
The InChIKey is BJXUTBSLHITPMV-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-7-9-11(13)12(15)14-10(6-3)8-5-2/h3,10-11H,4-5,7-9,13H2,1-2H3,(H,14,15)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-hex-1-yn-3-ylhexanamide?
(2S)-2-amino-N-hex-1-yn-3-ylhexanamide has a molecular weight of 210.32 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-hex-1-yn-3-ylhexanamide is sourced from PubChem (CID 106230639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).