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

C14H25N — CID 87279106

IUPAC(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
SMILES[H]/N=C(\[C@@H](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+/t11-,12?/m0/s1
InChIKeyGEEPSTKTLFFIIA-NMOWWVIFSA-N
MW207.36 g/mol
LogP4.43
Rot. Bonds4

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

(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine (PubChem CID 87279106) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine.

Molecular Properties

Compound Name(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
PubChem CID87279106
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
SMILES[H]/N=C(\[C@@H](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+/t11-,12?/m0/s1
InChIKeyGEEPSTKTLFFIIA-NMOWWVIFSA-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'}

Analyze (4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine with MolForge

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Related Compounds

1-Cyclohexyl-imino-2-butene
CID 129765474
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
19,21-Dimethyl-19,21-bis(2-methylpropyl)nonatriaconta-9,30-dien-20-imine
CID 54130774
6,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 57034986
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
3-[(E)-but-2-en-2-yl]-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587061
4a,5-Dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-imine
CID 58587147
(3S)-3-(4-octylcyclohexa-2,4-dien-1-yl)cyclopentan-1-imine
CID 68219189
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105
(9Z,30Z)-19,21-dimethyl-19,21-bis(2-methylpropyl)nonatriaconta-9,30-dien-20-imine
CID 88658812
1-Cyclohex-3-en-1-ylethanimine
CID 88885301

Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine?
The IUPAC name of (4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine (CID 87279106) is (4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine.
What is the SMILES notation for (4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine?
The canonical SMILES for (4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine is [H]/N=C(\[C@@H](C)CC)C(C)(C)C1C=CCCC1.
What is the InChIKey of (4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine?
The InChIKey is GEEPSTKTLFFIIA-NMOWWVIFSA-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?/m0/s1.
What are the key properties of (4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine?
(4S)-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 (4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine is sourced from PubChem (CID 87279106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).