2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine

C14H25N — CID 58555275

IUPAC2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
SMILES[H]/N=C(\C(C)CC)C(C)(C)C1C=CCCC1
InChIInChI=1S/C14H25N/c1-5-11(2)13(15)14(3,4)12-9-7-6-8-10-12/h7,9,11-12,15H,5-6,8,10H2,1-4H3/b15-13+
InChIKeyGEEPSTKTLFFIIA-FYWRMAATSA-N
MW207.36 g/mol
LogP4.43
Rot. Bonds4

About 2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine

2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine (PubChem CID 58555275) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
PubChem CID58555275
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
SMILES[H]/N=C(\C(C)CC)C(C)(C)C1C=CCCC1
InChIInChI=1S/C14H25N/c1-5-11(2)13(15)14(3,4)12-9-7-6-8-10-12/h7,9,11-12,15H,5-6,8,10H2,1-4H3/b15-13+
InChIKeyGEEPSTKTLFFIIA-FYWRMAATSA-N
XLogP4.43
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.43
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 2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine?
The IUPAC name of 2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine (CID 58555275) is 2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine?
The canonical SMILES for 2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine is [H]/N=C(\C(C)CC)C(C)(C)C1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine?
The InChIKey is GEEPSTKTLFFIIA-FYWRMAATSA-N. The full InChI is InChI=1S/C14H25N/c1-5-11(2)13(15)14(3,4)12-9-7-6-8-10-12/h7,9,11-12,15H,5-6,8,10H2,1-4H3/b15-13+.
What are the key properties of 2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine?
2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine has a molecular weight of 207.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine is sourced from PubChem (CID 58555275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).