N-(2-methanimidoylcyclohexen-1-yl)-2-methylpropan-1-imine

C11H18N2 — CID 143925593

IUPACN-(2-methanimidoylcyclohexen-1-yl)-2-methylpropan-1-imine
SMILES[H]/N=C/C1=C(/N=C/C(C)C)CCCC1
InChIInChI=1S/C11H18N2/c1-9(2)8-13-11-6-4-3-5-10(11)7-12/h7-9,12H,3-6H2,1-2H3/b12-7+,13-8+
InChIKeyUNTSERDXTDSFCS-INOXDZRUSA-N
MW178.28 g/mol
LogP3.19
Rot. Bonds3

About N-(2-methanimidoylcyclohexen-1-yl)-2-methylpropan-1-imine

N-(2-methanimidoylcyclohexen-1-yl)-2-methylpropan-1-imine (PubChem CID 143925593) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-(2-methanimidoylcyclohexen-1-yl)-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-(2-methanimidoylcyclohexen-1-yl)-2-methylpropan-1-imine
PubChem CID143925593
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-(2-methanimidoylcyclohexen-1-yl)-2-methylpropan-1-imine
SMILES[H]/N=C/C1=C(/N=C/C(C)C)CCCC1
InChIInChI=1S/C11H18N2/c1-9(2)8-13-11-6-4-3-5-10(11)7-12/h7-9,12H,3-6H2,1-2H3/b12-7+,13-8+
InChIKeyUNTSERDXTDSFCS-INOXDZRUSA-N
XLogP3.19
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethyl-6-octyl-3,4-dihydropyridine
CID 54387990
2-(C,N-dimethylcarbonimidoyl)cyclohexen-1-amine
CID 66908657
4-Methyl-2-(methyliminomethyl)cyclohexen-1-amine
CID 89041577
2-(Methyliminomethyl)cyclohexen-1-amine
CID 89395280
2-(Ethyliminomethyl)cyclohexen-1-amine
CID 89395306
(1Z)-1-(5-methylimino-2,3-dihydropyridin-4-ylidene)ethanamine
CID 89510152
4-(C,N-dimethylcarbonimidoyl)-2,3-dihydropyridin-5-amine
CID 89510154
N-(2-methanimidoylcyclopenten-1-yl)ethanimine
CID 117661449
1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine
CID 123377636
1-(3-Ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine
CID 123420524
5-Ethyl-6-propan-2-yl-3,4-dihydropyridine
CID 123519401
4-(3-Methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine
CID 123823045

Frequently Asked Questions

What is the IUPAC name of N-(2-methanimidoylcyclohexen-1-yl)-2-methylpropan-1-imine?
The IUPAC name of N-(2-methanimidoylcyclohexen-1-yl)-2-methylpropan-1-imine (CID 143925593) is N-(2-methanimidoylcyclohexen-1-yl)-2-methylpropan-1-imine.
What is the SMILES notation for N-(2-methanimidoylcyclohexen-1-yl)-2-methylpropan-1-imine?
The canonical SMILES for N-(2-methanimidoylcyclohexen-1-yl)-2-methylpropan-1-imine is [H]/N=C/C1=C(/N=C/C(C)C)CCCC1.
What is the InChIKey of N-(2-methanimidoylcyclohexen-1-yl)-2-methylpropan-1-imine?
The InChIKey is UNTSERDXTDSFCS-INOXDZRUSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)8-13-11-6-4-3-5-10(11)7-12/h7-9,12H,3-6H2,1-2H3/b12-7+,13-8+.
What are the key properties of N-(2-methanimidoylcyclohexen-1-yl)-2-methylpropan-1-imine?
N-(2-methanimidoylcyclohexen-1-yl)-2-methylpropan-1-imine has a molecular weight of 178.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methanimidoylcyclohexen-1-yl)-2-methylpropan-1-imine is sourced from PubChem (CID 143925593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).