6-methyl-3-propan-2-ylidenehept-5-en-2-imine

C11H19N — CID 21319963

IUPAC6-methyl-3-propan-2-ylidenehept-5-en-2-imine
SMILES[H]/N=C(\C)C(CC=C(C)C)=C(C)C
InChIInChI=1S/C11H19N/c1-8(2)6-7-11(9(3)4)10(5)12/h6,12H,7H2,1-5H3/b12-10+
InChIKeySQJBHUVCSNVCLX-ZRDIBKRKSA-N
MW165.28 g/mol
LogP3.72
Rot. Bonds3

About 6-methyl-3-propan-2-ylidenehept-5-en-2-imine

6-methyl-3-propan-2-ylidenehept-5-en-2-imine (PubChem CID 21319963) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 6-methyl-3-propan-2-ylidenehept-5-en-2-imine.

Molecular Properties

Compound Name6-methyl-3-propan-2-ylidenehept-5-en-2-imine
PubChem CID21319963
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name6-methyl-3-propan-2-ylidenehept-5-en-2-imine
SMILES[H]/N=C(\C)C(CC=C(C)C)=C(C)C
InChIInChI=1S/C11H19N/c1-8(2)6-7-11(9(3)4)10(5)12/h6,12H,7H2,1-5H3/b12-10+
InChIKeySQJBHUVCSNVCLX-ZRDIBKRKSA-N
XLogP3.72
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 6-methyl-3-propan-2-ylidenehept-5-en-2-imine?
The IUPAC name of 6-methyl-3-propan-2-ylidenehept-5-en-2-imine (CID 21319963) is 6-methyl-3-propan-2-ylidenehept-5-en-2-imine.
What is the SMILES notation for 6-methyl-3-propan-2-ylidenehept-5-en-2-imine?
The canonical SMILES for 6-methyl-3-propan-2-ylidenehept-5-en-2-imine is [H]/N=C(\C)C(CC=C(C)C)=C(C)C.
What is the InChIKey of 6-methyl-3-propan-2-ylidenehept-5-en-2-imine?
The InChIKey is SQJBHUVCSNVCLX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)6-7-11(9(3)4)10(5)12/h6,12H,7H2,1-5H3/b12-10+.
What are the key properties of 6-methyl-3-propan-2-ylidenehept-5-en-2-imine?
6-methyl-3-propan-2-ylidenehept-5-en-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-ylidenehept-5-en-2-imine is sourced from PubChem (CID 21319963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).