N-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine

C16H27N — CID 134374964

IUPACN-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine
SMILESC=CC1CCC(CC2CCC(N=C)CC2)CC1
InChIInChI=1S/C16H27N/c1-3-13-4-6-14(7-5-13)12-15-8-10-16(17-2)11-9-15/h3,13-16H,1-2,4-12H2
InChIKeyUSWDYJHCAXXVEB-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.63
Rot. Bonds4

About N-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine

N-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine (PubChem CID 134374964) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine.

Molecular Properties

Compound NameN-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine
PubChem CID134374964
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine
SMILESC=CC1CCC(CC2CCC(N=C)CC2)CC1
InChIInChI=1S/C16H27N/c1-3-13-4-6-14(7-5-13)12-15-8-10-16(17-2)11-9-15/h3,13-16H,1-2,4-12H2
InChIKeyUSWDYJHCAXXVEB-UHFFFAOYSA-N
XLogP4.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
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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Related Compounds

N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine
CID 59916878
N-cyclohexyl-2-(4-ethenylcyclohexyl)ethanimine
CID 68430727
N-(1-cyclohexylprop-2-enyl)methanimine
CID 70547806
N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine
CID 90899690
N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine
CID 91451462
N-[[4-(4-ethenylcyclohexyl)cyclohexyl]methyl]methanimine
CID 124180531
1-Isocyanato-4-[2-(4-prop-2-enylcyclohexyl)ethyl]cyclohexane
CID 164011768

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine?
The IUPAC name of N-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine (CID 134374964) is N-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine.
What is the SMILES notation for N-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine?
The canonical SMILES for N-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine is C=CC1CCC(CC2CCC(N=C)CC2)CC1.
What is the InChIKey of N-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine?
The InChIKey is USWDYJHCAXXVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-3-13-4-6-14(7-5-13)12-15-8-10-16(17-2)11-9-15/h3,13-16H,1-2,4-12H2.
What are the key properties of N-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine?
N-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine has a molecular weight of 233.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine is sourced from PubChem (CID 134374964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).