N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine

C16H25N — CID 90899690

IUPACN-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine
SMILESC=NC1CC=C(C2CCC(C(=C)C)CC2)CC1
InChIInChI=1S/C16H25N/c1-12(2)13-4-6-14(7-5-13)15-8-10-16(17-3)11-9-15/h8,13-14,16H,1,3-7,9-11H2,2H3
InChIKeyZBXLKPHUFJDKCQ-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.55
Rot. Bonds3

About N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine

N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine (PubChem CID 90899690) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine.

Molecular Properties

Compound NameN-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine
PubChem CID90899690
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine
SMILESC=NC1CC=C(C2CCC(C(=C)C)CC2)CC1
InChIInChI=1S/C16H25N/c1-12(2)13-4-6-14(7-5-13)15-8-10-16(17-3)11-9-15/h8,13-14,16H,1,3-7,9-11H2,2H3
InChIKeyZBXLKPHUFJDKCQ-UHFFFAOYSA-N
XLogP4.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]methanimine
CID 15173163
N-[1-methyl-4-(7-methylocta-2,4-dien-2-yl)cyclohexyl]methanimine
CID 162966383
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine
CID 59916878
N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine
CID 90947762
N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine
CID 91145112
N-(4,6-dimethyldec-3-en-5-yl)methanimine
CID 91311305
N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine
CID 91451462
N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine
CID 123511738
N-(2,4,6,7,9-pentamethylcyclonon-2-en-1-yl)methanimine
CID 123567686
N-[(Z,9R)-3,4,6,6,9,11-hexamethylhexadec-4-en-8-yl]methanimine
CID 126641636
N-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine
CID 134374964

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine?
The IUPAC name of N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine (CID 90899690) is N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine.
What is the SMILES notation for N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine?
The canonical SMILES for N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine is C=NC1CC=C(C2CCC(C(=C)C)CC2)CC1.
What is the InChIKey of N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine?
The InChIKey is ZBXLKPHUFJDKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)13-4-6-14(7-5-13)15-8-10-16(17-3)11-9-15/h8,13-14,16H,1,3-7,9-11H2,2H3.
What are the key properties of N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine?
N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine has a molecular weight of 231.38 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine is sourced from PubChem (CID 90899690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).