2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide

C14H24N2O — CID 106230414

IUPAC2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide
SMILESC#CC(CC)NC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C14H24N2O/c1-4-12(5-2)16-13(17)11-14(15-3)9-7-6-8-10-14/h1,12,15H,5-11H2,2-3H3,(H,16,17)
InChIKeyNDJRJKYAFSQKCS-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.83
Rot. Bonds5

About 2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide

2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide (PubChem CID 106230414) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide
PubChem CID106230414
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide
SMILESC#CC(CC)NC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C14H24N2O/c1-4-12(5-2)16-13(17)11-14(15-3)9-7-6-8-10-14/h1,12,15H,5-11H2,2-3H3,(H,16,17)
InChIKeyNDJRJKYAFSQKCS-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.83
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

N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240859
2-[1-(pent-1-yn-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 114161541
N-(1-cyclopropylethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240682
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
2-(methylamino)-N-pent-1-yn-3-ylacetamide
CID 106230235
methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate
CID 65242652
3-hydroxy-2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 65242594
(2R)-3-hydroxy-2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 80751284
2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide
CID 106025932
1-(pent-1-yn-3-ylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 106232145
2-[1-[2-oxo-2-(pent-1-yn-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid
CID 106231107
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide (CID 106230414) is 2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide is C#CC(CC)NC(=O)CC1(NC)CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide?
The InChIKey is NDJRJKYAFSQKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-12(5-2)16-13(17)11-14(15-3)9-7-6-8-10-14/h1,12,15H,5-11H2,2-3H3,(H,16,17).
What are the key properties of 2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide?
2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide has a molecular weight of 236.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide is sourced from PubChem (CID 106230414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).