6-methylidene-4-propan-2-yloct-7-en-1-imine

C12H21N — CID 139406336

IUPAC6-methylidene-4-propan-2-yloct-7-en-1-imine
SMILES[H]/N=C/CCC(CC(=C)C=C)C(C)C
InChIInChI=1S/C12H21N/c1-5-11(4)9-12(10(2)3)7-6-8-13/h5,8,10,12-13H,1,4,6-7,9H2,2-3H3/b13-8+
InChIKeyAOLYZJHZPGPPFP-MDWZMJQESA-N
MW179.31 g/mol
LogP3.82
Rot. Bonds7

About 6-methylidene-4-propan-2-yloct-7-en-1-imine

6-methylidene-4-propan-2-yloct-7-en-1-imine (PubChem CID 139406336) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 6-methylidene-4-propan-2-yloct-7-en-1-imine.

Molecular Properties

Compound Name6-methylidene-4-propan-2-yloct-7-en-1-imine
PubChem CID139406336
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name6-methylidene-4-propan-2-yloct-7-en-1-imine
SMILES[H]/N=C/CCC(CC(=C)C=C)C(C)C
InChIInChI=1S/C12H21N/c1-5-11(4)9-12(10(2)3)7-6-8-13/h5,8,10,12-13H,1,4,6-7,9H2,2-3H3/b13-8+
InChIKeyAOLYZJHZPGPPFP-MDWZMJQESA-N
XLogP3.82
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-4-propan-2-yloct-7-en-1-imine?
The IUPAC name of 6-methylidene-4-propan-2-yloct-7-en-1-imine (CID 139406336) is 6-methylidene-4-propan-2-yloct-7-en-1-imine.
What is the SMILES notation for 6-methylidene-4-propan-2-yloct-7-en-1-imine?
The canonical SMILES for 6-methylidene-4-propan-2-yloct-7-en-1-imine is [H]/N=C/CCC(CC(=C)C=C)C(C)C.
What is the InChIKey of 6-methylidene-4-propan-2-yloct-7-en-1-imine?
The InChIKey is AOLYZJHZPGPPFP-MDWZMJQESA-N. The full InChI is InChI=1S/C12H21N/c1-5-11(4)9-12(10(2)3)7-6-8-13/h5,8,10,12-13H,1,4,6-7,9H2,2-3H3/b13-8+.
What are the key properties of 6-methylidene-4-propan-2-yloct-7-en-1-imine?
6-methylidene-4-propan-2-yloct-7-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-4-propan-2-yloct-7-en-1-imine is sourced from PubChem (CID 139406336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).