N-(5-hydroxypentyl)-N-methylhept-6-ynamide

C13H23NO2 — CID 107300861

IUPACN-(5-hydroxypentyl)-N-methylhept-6-ynamide
SMILESC#CCCCCC(=O)N(C)CCCCCO
InChIInChI=1S/C13H23NO2/c1-3-4-5-7-10-13(16)14(2)11-8-6-9-12-15/h1,15H,4-12H2,2H3
InChIKeyDPSHTMPXOYSQPQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.80
Rot. Bonds9

About N-(5-hydroxypentyl)-N-methylhept-6-ynamide

N-(5-hydroxypentyl)-N-methylhept-6-ynamide (PubChem CID 107300861) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methylhept-6-ynamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methylhept-6-ynamide
PubChem CID107300861
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(5-hydroxypentyl)-N-methylhept-6-ynamide
SMILESC#CCCCCC(=O)N(C)CCCCCO
InChIInChI=1S/C13H23NO2/c1-3-4-5-7-10-13(16)14(2)11-8-6-9-12-15/h1,15H,4-12H2,2H3
InChIKeyDPSHTMPXOYSQPQ-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methylhept-6-ynamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methylhept-6-ynamide (CID 107300861) is N-(5-hydroxypentyl)-N-methylhept-6-ynamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methylhept-6-ynamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methylhept-6-ynamide is C#CCCCCC(=O)N(C)CCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-N-methylhept-6-ynamide?
The InChIKey is DPSHTMPXOYSQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-4-5-7-10-13(16)14(2)11-8-6-9-12-15/h1,15H,4-12H2,2H3.
What are the key properties of N-(5-hydroxypentyl)-N-methylhept-6-ynamide?
N-(5-hydroxypentyl)-N-methylhept-6-ynamide has a molecular weight of 225.33 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methylhept-6-ynamide is sourced from PubChem (CID 107300861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).