N-[[4-(2-methylprop-2-enyl)cyclohexyl]methyl]methanimine

C12H21N — CID 146360536

IUPACN-[[4-(2-methylprop-2-enyl)cyclohexyl]methyl]methanimine
SMILESC=NCC1CCC(CC(=C)C)CC1
InChIInChI=1S/C12H21N/c1-10(2)8-11-4-6-12(7-5-11)9-13-3/h11-12H,1,3-9H2,2H3
InChIKeyKEZGWGBYKQPSEO-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.46
Rot. Bonds4

About N-[[4-(2-methylprop-2-enyl)cyclohexyl]methyl]methanimine

N-[[4-(2-methylprop-2-enyl)cyclohexyl]methyl]methanimine (PubChem CID 146360536) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[[4-(2-methylprop-2-enyl)cyclohexyl]methyl]methanimine.

Molecular Properties

Compound NameN-[[4-(2-methylprop-2-enyl)cyclohexyl]methyl]methanimine
PubChem CID146360536
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[[4-(2-methylprop-2-enyl)cyclohexyl]methyl]methanimine
SMILESC=NCC1CCC(CC(=C)C)CC1
InChIInChI=1S/C12H21N/c1-10(2)8-11-4-6-12(7-5-11)9-13-3/h11-12H,1,3-9H2,2H3
InChIKeyKEZGWGBYKQPSEO-UHFFFAOYSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.46
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylprop-2-enyl)cyclohexyl]methyl]methanimine?
The IUPAC name of N-[[4-(2-methylprop-2-enyl)cyclohexyl]methyl]methanimine (CID 146360536) is N-[[4-(2-methylprop-2-enyl)cyclohexyl]methyl]methanimine.
What is the SMILES notation for N-[[4-(2-methylprop-2-enyl)cyclohexyl]methyl]methanimine?
The canonical SMILES for N-[[4-(2-methylprop-2-enyl)cyclohexyl]methyl]methanimine is C=NCC1CCC(CC(=C)C)CC1.
What is the InChIKey of N-[[4-(2-methylprop-2-enyl)cyclohexyl]methyl]methanimine?
The InChIKey is KEZGWGBYKQPSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10(2)8-11-4-6-12(7-5-11)9-13-3/h11-12H,1,3-9H2,2H3.
What are the key properties of N-[[4-(2-methylprop-2-enyl)cyclohexyl]methyl]methanimine?
N-[[4-(2-methylprop-2-enyl)cyclohexyl]methyl]methanimine has a molecular weight of 179.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylprop-2-enyl)cyclohexyl]methyl]methanimine is sourced from PubChem (CID 146360536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).