N-hex-1-yn-3-ylhept-6-ynamide

C13H19NO — CID 103528473

IUPACN-hex-1-yn-3-ylhept-6-ynamide
SMILESC#CCCCCC(=O)NC(C#C)CCC
InChIInChI=1S/C13H19NO/c1-4-7-8-9-11-13(15)14-12(6-3)10-5-2/h1,3,12H,5,7-11H2,2H3,(H,14,15)
InChIKeyCIBXLLKGBQNMQO-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.10
Rot. Bonds7

About N-hex-1-yn-3-ylhept-6-ynamide

N-hex-1-yn-3-ylhept-6-ynamide (PubChem CID 103528473) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-hex-1-yn-3-ylhept-6-ynamide.

Molecular Properties

Compound NameN-hex-1-yn-3-ylhept-6-ynamide
PubChem CID103528473
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-hex-1-yn-3-ylhept-6-ynamide
SMILESC#CCCCCC(=O)NC(C#C)CCC
InChIInChI=1S/C13H19NO/c1-4-7-8-9-11-13(15)14-12(6-3)10-5-2/h1,3,12H,5,7-11H2,2H3,(H,14,15)
InChIKeyCIBXLLKGBQNMQO-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

5-chloro-N-hex-1-yn-3-ylpentanamide
CID 106227479
N-hex-1-yn-3-yl-4-hydroxybutanamide
CID 106233004
N-hex-1-yn-3-yl-4-(methylamino)butanamide
CID 106230477
N-(3-hydroxyoctadec-17-yn-2-yl)hexadecanamide
CID 146471280
3-oxo-N-(2-oxohexan-3-yl)tridec-12-ynamide
CID 144722149
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
N-methyloct-7-ynamide
CID 175792048
N-but-3-yn-2-ylhexanamide
CID 114389654
N-hydroxyhept-6-ynamide
CID 71623064
(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide
CID 106230696
N-hex-1-yn-3-yl-2-sulfanylpropanamide
CID 106229841

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-ylhept-6-ynamide?
The IUPAC name of N-hex-1-yn-3-ylhept-6-ynamide (CID 103528473) is N-hex-1-yn-3-ylhept-6-ynamide.
What is the SMILES notation for N-hex-1-yn-3-ylhept-6-ynamide?
The canonical SMILES for N-hex-1-yn-3-ylhept-6-ynamide is C#CCCCCC(=O)NC(C#C)CCC.
What is the InChIKey of N-hex-1-yn-3-ylhept-6-ynamide?
The InChIKey is CIBXLLKGBQNMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-7-8-9-11-13(15)14-12(6-3)10-5-2/h1,3,12H,5,7-11H2,2H3,(H,14,15).
What are the key properties of N-hex-1-yn-3-ylhept-6-ynamide?
N-hex-1-yn-3-ylhept-6-ynamide has a molecular weight of 205.30 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-ylhept-6-ynamide is sourced from PubChem (CID 103528473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).