N-hex-5-yn-3-ylcyclooctanecarboxamide

C15H25NO — CID 115647391

IUPACN-hex-5-yn-3-ylcyclooctanecarboxamide
SMILESC#CCC(CC)NC(=O)C1CCCCCCC1
InChIInChI=1S/C15H25NO/c1-3-10-14(4-2)16-15(17)13-11-8-6-5-7-9-12-13/h1,13-14H,4-12H2,2H3,(H,16,17)
InChIKeyCZNJTPACYAVODB-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.27
Rot. Bonds4

About N-hex-5-yn-3-ylcyclooctanecarboxamide

N-hex-5-yn-3-ylcyclooctanecarboxamide (PubChem CID 115647391) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-hex-5-yn-3-ylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-hex-5-yn-3-ylcyclooctanecarboxamide
PubChem CID115647391
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-hex-5-yn-3-ylcyclooctanecarboxamide
SMILESC#CCC(CC)NC(=O)C1CCCCCCC1
InChIInChI=1S/C15H25NO/c1-3-10-14(4-2)16-15(17)13-11-8-6-5-7-9-12-13/h1,13-14H,4-12H2,2H3,(H,16,17)
InChIKeyCZNJTPACYAVODB-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoro-N-hex-5-yn-3-ylcyclohexane-1-carboxamide
CID 115774826
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995
N-hex-5-yn-3-ylcyclohex-3-ene-1-carboxamide
CID 115647412
N-(1-aminobutan-2-yl)cyclooctanecarboxamide
CID 65020917
N-pent-4-yn-2-ylcyclopentanecarboxamide
CID 115661776
N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703725
2-cyclopropyl-N-hex-5-yn-3-ylacetamide
CID 115647127
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
N-hex-5-yn-3-yl-3-piperidin-2-ylpropanamide
CID 113477454
N-(cycloheptylmethyl)hex-5-yn-3-amine
CID 115685744
N-prop-2-ynylcyclooctanecarboxamide
CID 65020760
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-ylcyclooctanecarboxamide?
The IUPAC name of N-hex-5-yn-3-ylcyclooctanecarboxamide (CID 115647391) is N-hex-5-yn-3-ylcyclooctanecarboxamide.
What is the SMILES notation for N-hex-5-yn-3-ylcyclooctanecarboxamide?
The canonical SMILES for N-hex-5-yn-3-ylcyclooctanecarboxamide is C#CCC(CC)NC(=O)C1CCCCCCC1.
What is the InChIKey of N-hex-5-yn-3-ylcyclooctanecarboxamide?
The InChIKey is CZNJTPACYAVODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-10-14(4-2)16-15(17)13-11-8-6-5-7-9-12-13/h1,13-14H,4-12H2,2H3,(H,16,17).
What are the key properties of N-hex-5-yn-3-ylcyclooctanecarboxamide?
N-hex-5-yn-3-ylcyclooctanecarboxamide has a molecular weight of 235.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-ylcyclooctanecarboxamide is sourced from PubChem (CID 115647391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).