1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine

C15H22N2 — CID 140514520

IUPAC1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine
SMILESCC(C)N=C1C=CC(=NC2CCCCC2)C=C1
InChIInChI=1S/C15H22N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3/b16-14-,17-15+
InChIKeyNAMMNKUNTWARSY-QUDUTFMFSA-N
MW230.36 g/mol
LogP3.74
Rot. Bonds2

About 1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine

1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine (PubChem CID 140514520) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine
PubChem CID140514520
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine
SMILESCC(C)N=C1C=CC(=NC2CCCCC2)C=C1
InChIInChI=1S/C15H22N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3/b16-14-,17-15+
InChIKeyNAMMNKUNTWARSY-QUDUTFMFSA-N
XLogP3.74
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 12524824
N-(Cyclohex-2-en-1-yl)cyclohexanimine
CID 13272647
3,6-Bis-sec-butylimino-cyclohexa-1,4-diene
CID 18172612
1-N,4-N-di(octan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 18172614
3,6-Bis-isopropylimino-cyclohexa-1,4-diene
CID 22617218
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CID 57006458
N-cyclohexyl-4-diazocyclohex-2-en-1-imine
CID 57075217
N-cyclohexylcyclohex-2-en-1-imine
CID 66728093
1-N,4-N-dibutylcyclohexa-2,5-diene-1,4-diimine
CID 71086605
1-N,4-N-dioctylcyclohexa-2,5-diene-1,4-diimine
CID 90214436
(Z)-N-cyclohexyl-3-methylpent-3-en-2-imine
CID 123345016
N-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine
CID 123533422

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine?
The IUPAC name of 1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine (CID 140514520) is 1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine.
What is the SMILES notation for 1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine?
The canonical SMILES for 1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine is CC(C)N=C1C=CC(=NC2CCCCC2)C=C1.
What is the InChIKey of 1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine?
The InChIKey is NAMMNKUNTWARSY-QUDUTFMFSA-N. The full InChI is InChI=1S/C15H22N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3/b16-14-,17-15+.
What are the key properties of 1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine?
1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine has a molecular weight of 230.36 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine is sourced from PubChem (CID 140514520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).