5-methyl-7-methylidenenonan-1-imine

C11H21N — CID 134570211

IUPAC5-methyl-7-methylidenenonan-1-imine
SMILES[H]/N=C/CCCC(C)CC(=C)CC
InChIInChI=1S/C11H21N/c1-4-10(2)9-11(3)7-5-6-8-12/h8,11-12H,2,4-7,9H2,1,3H3/b12-8+
InChIKeyNWULQISZNJCRGJ-XYOKQWHBSA-N
MW167.30 g/mol
LogP3.80
Rot. Bonds7

About 5-methyl-7-methylidenenonan-1-imine

5-methyl-7-methylidenenonan-1-imine (PubChem CID 134570211) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5-methyl-7-methylidenenonan-1-imine.

Molecular Properties

Compound Name5-methyl-7-methylidenenonan-1-imine
PubChem CID134570211
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5-methyl-7-methylidenenonan-1-imine
SMILES[H]/N=C/CCCC(C)CC(=C)CC
InChIInChI=1S/C11H21N/c1-4-10(2)9-11(3)7-5-6-8-12/h8,11-12H,2,4-7,9H2,1,3H3/b12-8+
InChIKeyNWULQISZNJCRGJ-XYOKQWHBSA-N
XLogP3.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-methylidenenonan-1-imine?
The IUPAC name of 5-methyl-7-methylidenenonan-1-imine (CID 134570211) is 5-methyl-7-methylidenenonan-1-imine.
What is the SMILES notation for 5-methyl-7-methylidenenonan-1-imine?
The canonical SMILES for 5-methyl-7-methylidenenonan-1-imine is [H]/N=C/CCCC(C)CC(=C)CC.
What is the InChIKey of 5-methyl-7-methylidenenonan-1-imine?
The InChIKey is NWULQISZNJCRGJ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H21N/c1-4-10(2)9-11(3)7-5-6-8-12/h8,11-12H,2,4-7,9H2,1,3H3/b12-8+.
What are the key properties of 5-methyl-7-methylidenenonan-1-imine?
5-methyl-7-methylidenenonan-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-methylidenenonan-1-imine is sourced from PubChem (CID 134570211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).