4-methyl-3-methylidenehexan-1-imine

C8H15N — CID 134484933

IUPAC4-methyl-3-methylidenehexan-1-imine
SMILES[H]/N=C/CC(=C)C(C)CC
InChIInChI=1S/C8H15N/c1-4-7(2)8(3)5-6-9/h6-7,9H,3-5H2,1-2H3/b9-6+
InChIKeyHMLKBVLLLBXIBR-RMKNXTFCSA-N
MW125.21 g/mol
LogP2.63
Rot. Bonds4

About 4-methyl-3-methylidenehexan-1-imine

4-methyl-3-methylidenehexan-1-imine (PubChem CID 134484933) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4-methyl-3-methylidenehexan-1-imine.

Molecular Properties

Compound Name4-methyl-3-methylidenehexan-1-imine
PubChem CID134484933
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4-methyl-3-methylidenehexan-1-imine
SMILES[H]/N=C/CC(=C)C(C)CC
InChIInChI=1S/C8H15N/c1-4-7(2)8(3)5-6-9/h6-7,9H,3-5H2,1-2H3/b9-6+
InChIKeyHMLKBVLLLBXIBR-RMKNXTFCSA-N
XLogP2.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.63
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 4-methyl-3-methylidenehexan-1-imine?
The IUPAC name of 4-methyl-3-methylidenehexan-1-imine (CID 134484933) is 4-methyl-3-methylidenehexan-1-imine.
What is the SMILES notation for 4-methyl-3-methylidenehexan-1-imine?
The canonical SMILES for 4-methyl-3-methylidenehexan-1-imine is [H]/N=C/CC(=C)C(C)CC.
What is the InChIKey of 4-methyl-3-methylidenehexan-1-imine?
The InChIKey is HMLKBVLLLBXIBR-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15N/c1-4-7(2)8(3)5-6-9/h6-7,9H,3-5H2,1-2H3/b9-6+.
What are the key properties of 4-methyl-3-methylidenehexan-1-imine?
4-methyl-3-methylidenehexan-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylidenehexan-1-imine is sourced from PubChem (CID 134484933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).