(6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine

C14H23N — CID 123201582

IUPAC(6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CCC\C1=C(/CC)C(C)C(C)C
InChIInChI=1S/C14H23N/c1-5-12(11(4)10(2)3)13-8-6-7-9-14(13)15/h7,9-11,15H,5-6,8H2,1-4H3/b13-12-,15-14+
InChIKeyBNTKJQUAAFIVOH-FSALDASDSA-N
MW205.34 g/mol
LogP4.35
Rot. Bonds3

About (6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine

(6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine (PubChem CID 123201582) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name(6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine
PubChem CID123201582
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine
SMILES[H]/N=C1\C=CCC\C1=C(/CC)C(C)C(C)C
InChIInChI=1S/C14H23N/c1-5-12(11(4)10(2)3)13-8-6-7-9-14(13)15/h7,9-11,15H,5-6,8H2,1-4H3/b13-12-,15-14+
InChIKeyBNTKJQUAAFIVOH-FSALDASDSA-N
XLogP4.35
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine with MolForge

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Related Compounds

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
6-Fluoro-4-methylcyclohex-2-en-1-imine
CID 91163671
3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
6-Methyl-5-(trifluoromethyl)cyclohex-2-en-1-imine
CID 123479377
1-Cyclohexyl-imino-2-butene
CID 129765474
Carvone hydrazone
CID 129821701
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402
2-(2-Methylpentan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 56977683
6,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 57034986

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine?
The IUPAC name of (6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine (CID 123201582) is (6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine.
What is the SMILES notation for (6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine?
The canonical SMILES for (6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine is [H]/N=C1\C=CCC\C1=C(/CC)C(C)C(C)C.
What is the InChIKey of (6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine?
The InChIKey is BNTKJQUAAFIVOH-FSALDASDSA-N. The full InChI is InChI=1S/C14H23N/c1-5-12(11(4)10(2)3)13-8-6-7-9-14(13)15/h7,9-11,15H,5-6,8H2,1-4H3/b13-12-,15-14+.
What are the key properties of (6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine?
(6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine has a molecular weight of 205.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(4,5-dimethylhexan-3-ylidene)cyclohex-2-en-1-imine is sourced from PubChem (CID 123201582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).