5-chloro-N-hex-1-yn-3-ylpentanamide

C11H18ClNO — CID 106227479

IUPAC5-chloro-N-hex-1-yn-3-ylpentanamide
SMILESC#CC(CCC)NC(=O)CCCCCl
InChIInChI=1S/C11H18ClNO/c1-3-7-10(4-2)13-11(14)8-5-6-9-12/h2,10H,3,5-9H2,1H3,(H,13,14)
InChIKeyYPJFWRWIZMLNJS-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.31
Rot. Bonds7

About 5-chloro-N-hex-1-yn-3-ylpentanamide

5-chloro-N-hex-1-yn-3-ylpentanamide (PubChem CID 106227479) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 5-chloro-N-hex-1-yn-3-ylpentanamide.

Molecular Properties

Compound Name5-chloro-N-hex-1-yn-3-ylpentanamide
PubChem CID106227479
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name5-chloro-N-hex-1-yn-3-ylpentanamide
SMILESC#CC(CCC)NC(=O)CCCCCl
InChIInChI=1S/C11H18ClNO/c1-3-7-10(4-2)13-11(14)8-5-6-9-12/h2,10H,3,5-9H2,1H3,(H,13,14)
InChIKeyYPJFWRWIZMLNJS-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hex-1-yn-3-ylhept-6-ynamide
CID 103528473
N-hex-1-yn-3-yl-4-hydroxybutanamide
CID 106233004
N-hex-1-yn-3-yl-4-(methylamino)butanamide
CID 106230477
2-chloro-N-(hex-1-yn-3-ylcarbamoyl)acetamide
CID 106232693
5-chloro-N-heptan-2-ylpentanamide
CID 43578895
4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide
CID 106230575
2-(hex-1-yn-3-ylamino)-2-oxoacetic acid
CID 106232888
4-chloro-N-octan-4-ylbutanamide
CID 106019308
4-chloro-N-pentan-3-ylbutanamide
CID 16788679
N-but-3-yn-2-ylhexanamide
CID 114389654
5-chloro-N-(4-hydroxybutan-2-yl)pentanamide
CID 83177024
(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide
CID 106230696

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-hex-1-yn-3-ylpentanamide?
The IUPAC name of 5-chloro-N-hex-1-yn-3-ylpentanamide (CID 106227479) is 5-chloro-N-hex-1-yn-3-ylpentanamide.
What is the SMILES notation for 5-chloro-N-hex-1-yn-3-ylpentanamide?
The canonical SMILES for 5-chloro-N-hex-1-yn-3-ylpentanamide is C#CC(CCC)NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-hex-1-yn-3-ylpentanamide?
The InChIKey is YPJFWRWIZMLNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-3-7-10(4-2)13-11(14)8-5-6-9-12/h2,10H,3,5-9H2,1H3,(H,13,14).
What are the key properties of 5-chloro-N-hex-1-yn-3-ylpentanamide?
5-chloro-N-hex-1-yn-3-ylpentanamide has a molecular weight of 215.72 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-hex-1-yn-3-ylpentanamide is sourced from PubChem (CID 106227479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).