1-methyl-5-(4-methylhept-2-ynoxy)azonane

C17H31NO — CID 123496992

IUPAC1-methyl-5-(4-methylhept-2-ynoxy)azonane
SMILESCCCC(C)C#CCOC1CCCCN(C)CCC1
InChIInChI=1S/C17H31NO/c1-4-9-16(2)10-8-15-19-17-11-5-6-13-18(3)14-7-12-17/h16-17H,4-7,9,11-15H2,1-3H3
InChIKeyLVTWUNVYSYHALM-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.71
Rot. Bonds4

About 1-methyl-5-(4-methylhept-2-ynoxy)azonane

1-methyl-5-(4-methylhept-2-ynoxy)azonane (PubChem CID 123496992) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-methyl-5-(4-methylhept-2-ynoxy)azonane.

Molecular Properties

Compound Name1-methyl-5-(4-methylhept-2-ynoxy)azonane
PubChem CID123496992
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-methyl-5-(4-methylhept-2-ynoxy)azonane
SMILESCCCC(C)C#CCOC1CCCCN(C)CCC1
InChIInChI=1S/C17H31NO/c1-4-9-16(2)10-8-15-19-17-11-5-6-13-18(3)14-7-12-17/h16-17H,4-7,9,11-15H2,1-3H3
InChIKeyLVTWUNVYSYHALM-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylhept-2-ynoxy)azonane?
The IUPAC name of 1-methyl-5-(4-methylhept-2-ynoxy)azonane (CID 123496992) is 1-methyl-5-(4-methylhept-2-ynoxy)azonane.
What is the SMILES notation for 1-methyl-5-(4-methylhept-2-ynoxy)azonane?
The canonical SMILES for 1-methyl-5-(4-methylhept-2-ynoxy)azonane is CCCC(C)C#CCOC1CCCCN(C)CCC1.
What is the InChIKey of 1-methyl-5-(4-methylhept-2-ynoxy)azonane?
The InChIKey is LVTWUNVYSYHALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-9-16(2)10-8-15-19-17-11-5-6-13-18(3)14-7-12-17/h16-17H,4-7,9,11-15H2,1-3H3.
What are the key properties of 1-methyl-5-(4-methylhept-2-ynoxy)azonane?
1-methyl-5-(4-methylhept-2-ynoxy)azonane has a molecular weight of 265.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylhept-2-ynoxy)azonane is sourced from PubChem (CID 123496992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).