(2Z)-2-(3,4-dimethylcyclohexylidene)-N,3-dimethylbutan-1-imine

C14H25N — CID 146321011

IUPAC(2Z)-2-(3,4-dimethylcyclohexylidene)-N,3-dimethylbutan-1-imine
SMILESC/N=C/C(=C1/CCC(C)C(C)C1)C(C)C
InChIInChI=1S/C14H25N/c1-10(2)14(9-15-5)13-7-6-11(3)12(4)8-13/h9-12H,6-8H2,1-5H3/b14-13+,15-9+
InChIKeyYARJDNWTUDNWPM-FYXBLBNSSA-N
MW207.36 g/mol
LogP4.10
Rot. Bonds2

About (2Z)-2-(3,4-dimethylcyclohexylidene)-N,3-dimethylbutan-1-imine

(2Z)-2-(3,4-dimethylcyclohexylidene)-N,3-dimethylbutan-1-imine (PubChem CID 146321011) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (2Z)-2-(3,4-dimethylcyclohexylidene)-N,3-dimethylbutan-1-imine.

Molecular Properties

Compound Name(2Z)-2-(3,4-dimethylcyclohexylidene)-N,3-dimethylbutan-1-imine
PubChem CID146321011
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(2Z)-2-(3,4-dimethylcyclohexylidene)-N,3-dimethylbutan-1-imine
SMILESC/N=C/C(=C1/CCC(C)C(C)C1)C(C)C
InChIInChI=1S/C14H25N/c1-10(2)14(9-15-5)13-7-6-11(3)12(4)8-13/h9-12H,6-8H2,1-5H3/b14-13+,15-9+
InChIKeyYARJDNWTUDNWPM-FYXBLBNSSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3,4-dimethylcyclohexylidene)-N,3-dimethylbutan-1-imine?
The IUPAC name of (2Z)-2-(3,4-dimethylcyclohexylidene)-N,3-dimethylbutan-1-imine (CID 146321011) is (2Z)-2-(3,4-dimethylcyclohexylidene)-N,3-dimethylbutan-1-imine.
What is the SMILES notation for (2Z)-2-(3,4-dimethylcyclohexylidene)-N,3-dimethylbutan-1-imine?
The canonical SMILES for (2Z)-2-(3,4-dimethylcyclohexylidene)-N,3-dimethylbutan-1-imine is C/N=C/C(=C1/CCC(C)C(C)C1)C(C)C.
What is the InChIKey of (2Z)-2-(3,4-dimethylcyclohexylidene)-N,3-dimethylbutan-1-imine?
The InChIKey is YARJDNWTUDNWPM-FYXBLBNSSA-N. The full InChI is InChI=1S/C14H25N/c1-10(2)14(9-15-5)13-7-6-11(3)12(4)8-13/h9-12H,6-8H2,1-5H3/b14-13+,15-9+.
What are the key properties of (2Z)-2-(3,4-dimethylcyclohexylidene)-N,3-dimethylbutan-1-imine?
(2Z)-2-(3,4-dimethylcyclohexylidene)-N,3-dimethylbutan-1-imine has a molecular weight of 207.36 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3,4-dimethylcyclohexylidene)-N,3-dimethylbutan-1-imine is sourced from PubChem (CID 146321011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).