(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine

C14H25N — CID 87279105

IUPAC(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
SMILES[H]/N=C(\[C@H](C)CC)C(C)(C)[C@@H]1C=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+/t11-,12-/m1/s1
InChIKeyGEEPSTKTLFFIIA-IDNUSFOCSA-N
MW207.36 g/mol
LogP4.43
Rot. Bonds4

About (4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine

(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine (PubChem CID 87279105) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine.

Molecular Properties

Compound Name(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
PubChem CID87279105
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
SMILES[H]/N=C(\[C@H](C)CC)C(C)(C)[C@@H]1C=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+/t11-,12-/m1/s1
InChIKeyGEEPSTKTLFFIIA-IDNUSFOCSA-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 (4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine?
The IUPAC name of (4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine (CID 87279105) is (4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine.
What is the SMILES notation for (4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine?
The canonical SMILES for (4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine is [H]/N=C(\[C@H](C)CC)C(C)(C)[C@@H]1C=CCCC1.
What is the InChIKey of (4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine?
The InChIKey is GEEPSTKTLFFIIA-IDNUSFOCSA-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+/t11-,12-/m1/s1.
What are the key properties of (4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine?
(4R)-2-[(1S)-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 (4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine is sourced from PubChem (CID 87279105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).