N-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide

C13H22N2O — CID 106229084

IUPACN-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide
SMILESC#CC(CC)NCC(=O)NC1CCCCC1
InChIInChI=1S/C13H22N2O/c1-3-11(4-2)14-10-13(16)15-12-8-6-5-7-9-12/h1,11-12,14H,4-10H2,2H3,(H,15,16)
InChIKeyRJKNNZPCDCKOKN-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.44
Rot. Bonds5

About N-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide

N-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide (PubChem CID 106229084) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide
PubChem CID106229084
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide
SMILESC#CC(CC)NCC(=O)NC1CCCCC1
InChIInChI=1S/C13H22N2O/c1-3-11(4-2)14-10-13(16)15-12-8-6-5-7-9-12/h1,11-12,14H,4-10H2,2H3,(H,15,16)
InChIKeyRJKNNZPCDCKOKN-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.44
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

2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide
CID 114416819
1-cyclohexyl-3-pent-1-yn-3-ylurea
CID 106225399
N-cyclopentyl-2-(1-hydroxybutan-2-ylamino)acetamide
CID 43389760
N-cyclohexyl-2-(pent-1-yn-3-ylamino)propanamide
CID 103577857
N-cyclopentyl-2-(3-ethylpentan-2-ylamino)acetamide
CID 55260185
N-cyclodecylpropanamide
CID 122483649
N-cyclooctylpropanamide
CID 3387497
N-cyclododecylpropanamide
CID 2784600
N-cycloheptyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 62573821
(2R)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoic acid
CID 83194051
N-cyclohexyl-2-(1,3-dihydroxypropan-2-ylamino)acetamide
CID 65313308
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide?
The IUPAC name of N-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide (CID 106229084) is N-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide is C#CC(CC)NCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide?
The InChIKey is RJKNNZPCDCKOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-11(4-2)14-10-13(16)15-12-8-6-5-7-9-12/h1,11-12,14H,4-10H2,2H3,(H,15,16).
What are the key properties of N-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide?
N-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide has a molecular weight of 222.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(pent-1-yn-3-ylamino)acetamide is sourced from PubChem (CID 106229084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).