4-methylidene-N-[4-(methylideneamino)cyclohexyl]cyclohexa-2,5-dien-1-imine

C14H18N2 — CID 59371115

IUPAC4-methylidene-N-[4-(methylideneamino)cyclohexyl]cyclohexa-2,5-dien-1-imine
SMILESC=NC1CCC(N=C2C=CC(=C)C=C2)CC1
InChIInChI=1S/C14H18N2/c1-11-3-5-13(6-4-11)16-14-9-7-12(15-2)8-10-14/h3-6,12,14H,1-2,7-10H2
InChIKeyFQEPNZQEACIKGR-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.12
Rot. Bonds2

About 4-methylidene-N-[4-(methylideneamino)cyclohexyl]cyclohexa-2,5-dien-1-imine

4-methylidene-N-[4-(methylideneamino)cyclohexyl]cyclohexa-2,5-dien-1-imine (PubChem CID 59371115) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-methylidene-N-[4-(methylideneamino)cyclohexyl]cyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound Name4-methylidene-N-[4-(methylideneamino)cyclohexyl]cyclohexa-2,5-dien-1-imine
PubChem CID59371115
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-methylidene-N-[4-(methylideneamino)cyclohexyl]cyclohexa-2,5-dien-1-imine
SMILESC=NC1CCC(N=C2C=CC(=C)C=C2)CC1
InChIInChI=1S/C14H18N2/c1-11-3-5-13(6-4-11)16-14-9-7-12(15-2)8-10-14/h3-6,12,14H,1-2,7-10H2
InChIKeyFQEPNZQEACIKGR-UHFFFAOYSA-N
XLogP3.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-methylidene-N-[4-(methylideneamino)cyclohexyl]cyclohexa-2,5-dien-1-imine?
The IUPAC name of 4-methylidene-N-[4-(methylideneamino)cyclohexyl]cyclohexa-2,5-dien-1-imine (CID 59371115) is 4-methylidene-N-[4-(methylideneamino)cyclohexyl]cyclohexa-2,5-dien-1-imine.
What is the SMILES notation for 4-methylidene-N-[4-(methylideneamino)cyclohexyl]cyclohexa-2,5-dien-1-imine?
The canonical SMILES for 4-methylidene-N-[4-(methylideneamino)cyclohexyl]cyclohexa-2,5-dien-1-imine is C=NC1CCC(N=C2C=CC(=C)C=C2)CC1.
What is the InChIKey of 4-methylidene-N-[4-(methylideneamino)cyclohexyl]cyclohexa-2,5-dien-1-imine?
The InChIKey is FQEPNZQEACIKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-3-5-13(6-4-11)16-14-9-7-12(15-2)8-10-14/h3-6,12,14H,1-2,7-10H2.
What are the key properties of 4-methylidene-N-[4-(methylideneamino)cyclohexyl]cyclohexa-2,5-dien-1-imine?
4-methylidene-N-[4-(methylideneamino)cyclohexyl]cyclohexa-2,5-dien-1-imine has a molecular weight of 214.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-N-[4-(methylideneamino)cyclohexyl]cyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 59371115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).