2-N-propylcyclohex-3-ene-1,2-diimine

C9H14N2 — CID 143739126

IUPAC2-N-propylcyclohex-3-ene-1,2-diimine
SMILES[H]/N=C1\CCC=C\C1=N/CCC
InChIInChI=1S/C9H14N2/c1-2-7-11-9-6-4-3-5-8(9)10/h4,6,10H,2-3,5,7H2,1H3/b10-8+,11-9+
InChIKeyAXPLNGLCICSRMY-GFULKKFKSA-N
MW150.22 g/mol
LogP2.21
Rot. Bonds2

About 2-N-propylcyclohex-3-ene-1,2-diimine

2-N-propylcyclohex-3-ene-1,2-diimine (PubChem CID 143739126) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-N-propylcyclohex-3-ene-1,2-diimine.

Molecular Properties

Compound Name2-N-propylcyclohex-3-ene-1,2-diimine
PubChem CID143739126
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-N-propylcyclohex-3-ene-1,2-diimine
SMILES[H]/N=C1\CCC=C\C1=N/CCC
InChIInChI=1S/C9H14N2/c1-2-7-11-9-6-4-3-5-8(9)10/h4,6,10H,2-3,5,7H2,1H3/b10-8+,11-9+
InChIKeyAXPLNGLCICSRMY-GFULKKFKSA-N
XLogP2.21
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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6-Ethyl-2,3-dihydropyridine
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Cyclohex-4-ene-1,3-diimine
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CID 135031019
4-N-methylcyclohex-2-ene-1,4-diimine
CID 20673085
N-methylcyclohex-2-en-1-imine
CID 20718417
N-methylcyclohex-3-en-1-imine
CID 56975694
6-(2,5-Dihydropyridin-6-yl)-2,5-dihydropyridine
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Frequently Asked Questions

What is the IUPAC name of 2-N-propylcyclohex-3-ene-1,2-diimine?
The IUPAC name of 2-N-propylcyclohex-3-ene-1,2-diimine (CID 143739126) is 2-N-propylcyclohex-3-ene-1,2-diimine.
What is the SMILES notation for 2-N-propylcyclohex-3-ene-1,2-diimine?
The canonical SMILES for 2-N-propylcyclohex-3-ene-1,2-diimine is [H]/N=C1\CCC=C\C1=N/CCC.
What is the InChIKey of 2-N-propylcyclohex-3-ene-1,2-diimine?
The InChIKey is AXPLNGLCICSRMY-GFULKKFKSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-7-11-9-6-4-3-5-8(9)10/h4,6,10H,2-3,5,7H2,1H3/b10-8+,11-9+.
What are the key properties of 2-N-propylcyclohex-3-ene-1,2-diimine?
2-N-propylcyclohex-3-ene-1,2-diimine has a molecular weight of 150.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propylcyclohex-3-ene-1,2-diimine is sourced from PubChem (CID 143739126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).