1-cyclohexylidene-3-methylhexan-2-imine

C13H23N — CID 123876303

IUPAC1-cyclohexylidene-3-methylhexan-2-imine
SMILES[H]/N=C(/C=C1CCCCC1)C(C)CCC
InChIInChI=1S/C13H23N/c1-3-7-11(2)13(14)10-12-8-5-4-6-9-12/h10-11,14H,3-9H2,1-2H3/b14-13-
InChIKeyAQAFAHISSCSAAQ-YPKPFQOOSA-N
MW193.33 g/mol
LogP4.33
Rot. Bonds4

About 1-cyclohexylidene-3-methylhexan-2-imine

1-cyclohexylidene-3-methylhexan-2-imine (PubChem CID 123876303) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-cyclohexylidene-3-methylhexan-2-imine.

Molecular Properties

Compound Name1-cyclohexylidene-3-methylhexan-2-imine
PubChem CID123876303
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-cyclohexylidene-3-methylhexan-2-imine
SMILES[H]/N=C(/C=C1CCCCC1)C(C)CCC
InChIInChI=1S/C13H23N/c1-3-7-11(2)13(14)10-12-8-5-4-6-9-12/h10-11,14H,3-9H2,1-2H3/b14-13-
InChIKeyAQAFAHISSCSAAQ-YPKPFQOOSA-N
XLogP4.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methylhexan-2-imine
CID 149359557
4-methylheptan-3-imine
CID 149092868
N-(cyclohexylidenemethyl)-2-methylbutanamide
CID 91359968
1-cyclohexylidenetetradecan-2-one
CID 103457909
3-methyl-2-oxohexanimidamide
CID 141053375
cyclohexane;pentan-2-ol
CID 67677243
3-methylpentane-1,2-diimine
CID 139890655
1-cyclooctylidenepropan-2-one
CID 12700422
3-imino-N-methyl-2-propylpent-4-en-1-amine
CID 123469226
N-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide
CID 130723814
1-cycloheptylidene-3-hydroxypropan-2-one
CID 86245985
pentylidenecyclopentadecane
CID 151655236

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylidene-3-methylhexan-2-imine?
The IUPAC name of 1-cyclohexylidene-3-methylhexan-2-imine (CID 123876303) is 1-cyclohexylidene-3-methylhexan-2-imine.
What is the SMILES notation for 1-cyclohexylidene-3-methylhexan-2-imine?
The canonical SMILES for 1-cyclohexylidene-3-methylhexan-2-imine is [H]/N=C(/C=C1CCCCC1)C(C)CCC.
What is the InChIKey of 1-cyclohexylidene-3-methylhexan-2-imine?
The InChIKey is AQAFAHISSCSAAQ-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H23N/c1-3-7-11(2)13(14)10-12-8-5-4-6-9-12/h10-11,14H,3-9H2,1-2H3/b14-13-.
What are the key properties of 1-cyclohexylidene-3-methylhexan-2-imine?
1-cyclohexylidene-3-methylhexan-2-imine has a molecular weight of 193.33 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylidene-3-methylhexan-2-imine is sourced from PubChem (CID 123876303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).