2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide

C12H22N2O — CID 106211958

IUPAC2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide
SMILESC#CCCCCNCC(=O)NCC(C)C
InChIInChI=1S/C12H22N2O/c1-4-5-6-7-8-13-10-12(15)14-9-11(2)3/h1,11,13H,5-10H2,2-3H3,(H,14,15)
InChIKeyKEUHPVYKIRUHMR-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.15
Rot. Bonds8

About 2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide

2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide (PubChem CID 106211958) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide
PubChem CID106211958
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide
SMILESC#CCCCCNCC(=O)NCC(C)C
InChIInChI=1S/C12H22N2O/c1-4-5-6-7-8-13-10-12(15)14-9-11(2)3/h1,11,13H,5-10H2,2-3H3,(H,14,15)
InChIKeyKEUHPVYKIRUHMR-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxypropylamino)-N-(2-methylpropyl)acetamide
CID 43389745
N-hex-5-ynyl-2-(propan-2-ylamino)acetamide
CID 106213054
ethyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]butanoate
CID 60648237
2-formamido-N-hex-5-ynylacetamide
CID 143163619
2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide
CID 106211682
2-bromo-N-hex-5-ynylpropanamide
CID 106211130
2-(hex-5-ynylamino)-N-(2-methylphenyl)acetamide
CID 106211416
4-(hex-5-ynylamino)butan-2-ol
CID 106211383
2-(5-methylhexylamino)-N-propylacetamide
CID 115325791
2-methyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanoic acid
CID 79272524
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
N-(8-methylnonyl)-2-(2-methylpropylamino)acetamide
CID 156546991

Frequently Asked Questions

What is the IUPAC name of 2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide (CID 106211958) is 2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide is C#CCCCCNCC(=O)NCC(C)C.
What is the InChIKey of 2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide?
The InChIKey is KEUHPVYKIRUHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-5-6-7-8-13-10-12(15)14-9-11(2)3/h1,11,13H,5-10H2,2-3H3,(H,14,15).
What are the key properties of 2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide?
2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide has a molecular weight of 210.32 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hex-5-ynylamino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 106211958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).