2-methyl-5-(2-methylprop-2-enyl)azonane

C13H25N — CID 155036582

IUPAC2-methyl-5-(2-methylprop-2-enyl)azonane
SMILESC=C(C)CC1CCCCNC(C)CC1
InChIInChI=1S/C13H25N/c1-11(2)10-13-6-4-5-9-14-12(3)7-8-13/h12-14H,1,4-10H2,2-3H3
InChIKeyPHQZOUNWXNSEDJ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.51
Rot. Bonds2

About 2-methyl-5-(2-methylprop-2-enyl)azonane

2-methyl-5-(2-methylprop-2-enyl)azonane (PubChem CID 155036582) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-methyl-5-(2-methylprop-2-enyl)azonane.

Molecular Properties

Compound Name2-methyl-5-(2-methylprop-2-enyl)azonane
PubChem CID155036582
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-methyl-5-(2-methylprop-2-enyl)azonane
SMILESC=C(C)CC1CCCCNC(C)CC1
InChIInChI=1S/C13H25N/c1-11(2)10-13-6-4-5-9-14-12(3)7-8-13/h12-14H,1,4-10H2,2-3H3
InChIKeyPHQZOUNWXNSEDJ-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylprop-2-enyl)azonane?
The IUPAC name of 2-methyl-5-(2-methylprop-2-enyl)azonane (CID 155036582) is 2-methyl-5-(2-methylprop-2-enyl)azonane.
What is the SMILES notation for 2-methyl-5-(2-methylprop-2-enyl)azonane?
The canonical SMILES for 2-methyl-5-(2-methylprop-2-enyl)azonane is C=C(C)CC1CCCCNC(C)CC1.
What is the InChIKey of 2-methyl-5-(2-methylprop-2-enyl)azonane?
The InChIKey is PHQZOUNWXNSEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-11(2)10-13-6-4-5-9-14-12(3)7-8-13/h12-14H,1,4-10H2,2-3H3.
What are the key properties of 2-methyl-5-(2-methylprop-2-enyl)azonane?
2-methyl-5-(2-methylprop-2-enyl)azonane has a molecular weight of 195.35 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylprop-2-enyl)azonane is sourced from PubChem (CID 155036582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).