N-ethenyl-N'-[(4-methylcyclohex-3-en-1-yl)methyl]methanimidamide

C11H18N2 — CID 142171928

IUPACN-ethenyl-N'-[(4-methylcyclohex-3-en-1-yl)methyl]methanimidamide
SMILESC=CN/C=N/CC1CC=C(C)CC1
InChIInChI=1S/C11H18N2/c1-3-12-9-13-8-11-6-4-10(2)5-7-11/h3-4,9,11H,1,5-8H2,2H3,(H,12,13)
InChIKeyQRBSOLKJMXOZOO-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.49
Rot. Bonds4

About N-ethenyl-N'-[(4-methylcyclohex-3-en-1-yl)methyl]methanimidamide

N-ethenyl-N'-[(4-methylcyclohex-3-en-1-yl)methyl]methanimidamide (PubChem CID 142171928) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-ethenyl-N'-[(4-methylcyclohex-3-en-1-yl)methyl]methanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-[(4-methylcyclohex-3-en-1-yl)methyl]methanimidamide
PubChem CID142171928
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-ethenyl-N'-[(4-methylcyclohex-3-en-1-yl)methyl]methanimidamide
SMILESC=CN/C=N/CC1CC=C(C)CC1
InChIInChI=1S/C11H18N2/c1-3-12-9-13-8-11-6-4-10(2)5-7-11/h3-4,9,11H,1,5-8H2,2H3,(H,12,13)
InChIKeyQRBSOLKJMXOZOO-UHFFFAOYSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-[(4-methylcyclohex-3-en-1-yl)methyl]methanimidamide?
The IUPAC name of N-ethenyl-N'-[(4-methylcyclohex-3-en-1-yl)methyl]methanimidamide (CID 142171928) is N-ethenyl-N'-[(4-methylcyclohex-3-en-1-yl)methyl]methanimidamide.
What is the SMILES notation for N-ethenyl-N'-[(4-methylcyclohex-3-en-1-yl)methyl]methanimidamide?
The canonical SMILES for N-ethenyl-N'-[(4-methylcyclohex-3-en-1-yl)methyl]methanimidamide is C=CN/C=N/CC1CC=C(C)CC1.
What is the InChIKey of N-ethenyl-N'-[(4-methylcyclohex-3-en-1-yl)methyl]methanimidamide?
The InChIKey is QRBSOLKJMXOZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-12-9-13-8-11-6-4-10(2)5-7-11/h3-4,9,11H,1,5-8H2,2H3,(H,12,13).
What are the key properties of N-ethenyl-N'-[(4-methylcyclohex-3-en-1-yl)methyl]methanimidamide?
N-ethenyl-N'-[(4-methylcyclohex-3-en-1-yl)methyl]methanimidamide has a molecular weight of 178.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-[(4-methylcyclohex-3-en-1-yl)methyl]methanimidamide is sourced from PubChem (CID 142171928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).