N-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine

C12H15N — CID 91049015

IUPACN-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine
SMILESC1=CCC(/N=C2/C=CCCC2)C=C1
InChIInChI=1S/C12H15N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-5,7,9,11H,2,6,8,10H2/b13-12-
InChIKeyTXKQJTZWFLQKRS-SEYXRHQNSA-N
MW173.26 g/mol
LogP3.05
Rot. Bonds1

About N-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine

N-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine (PubChem CID 91049015) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine
PubChem CID91049015
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine
SMILESC1=CCC(/N=C2/C=CCCC2)C=C1
InChIInChI=1S/C12H15N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-5,7,9,11H,2,6,8,10H2/b13-12-
InChIKeyTXKQJTZWFLQKRS-SEYXRHQNSA-N
XLogP3.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Nigrifactin
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8aH-carbazole
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2-fluoro-N-prop-2-enylcyclohexa-2,4-dien-1-imine
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CID 198319
N-(Cyclohex-2-en-1-yl)cyclohexanimine
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6,7-dihydro-2H-cyclopenta[b]pyridine
CID 19100511
2-Butyl-3-methyl-4a,8a-dihydroquinoxaline
CID 21014290
N-cyclopropylcyclohexa-2,4-dien-1-imine
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2,8-Dihydroquinoline
CID 53423727

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine?
The IUPAC name of N-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine (CID 91049015) is N-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine?
The canonical SMILES for N-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine is C1=CCC(/N=C2/C=CCCC2)C=C1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine?
The InChIKey is TXKQJTZWFLQKRS-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H15N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-5,7,9,11H,2,6,8,10H2/b13-12-.
What are the key properties of N-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine?
N-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine has a molecular weight of 173.26 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-imine is sourced from PubChem (CID 91049015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).