N-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine

C22H39NO — CID 21015060

IUPACN-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine
SMILESCC(C)=NOC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C22H39NO/c1-16(2)23-24-22-14-12-21(13-15-22)20-10-8-19(9-11-20)18-6-4-17(3)5-7-18/h17-22H,4-15H2,1-3H3
InChIKeyWDLKUUXQRVSPPF-UHFFFAOYSA-N
MW333.56 g/mol
LogP6.59
Rot. Bonds4

About N-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine

N-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine (PubChem CID 21015060) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is N-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine.

Molecular Properties

Compound NameN-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine
PubChem CID21015060
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC NameN-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine
SMILESCC(C)=NOC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C22H39NO/c1-16(2)23-24-22-14-12-21(13-15-22)20-10-8-19(9-11-20)18-6-4-17(3)5-7-18/h17-22H,4-15H2,1-3H3
InChIKeyWDLKUUXQRVSPPF-UHFFFAOYSA-N
XLogP6.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine?
The IUPAC name of N-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine (CID 21015060) is N-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine.
What is the SMILES notation for N-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine?
The canonical SMILES for N-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine is CC(C)=NOC1CCC(C2CCC(C3CCC(C)CC3)CC2)CC1.
What is the InChIKey of N-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine?
The InChIKey is WDLKUUXQRVSPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO/c1-16(2)23-24-22-14-12-21(13-15-22)20-10-8-19(9-11-20)18-6-4-17(3)5-7-18/h17-22H,4-15H2,1-3H3.
What are the key properties of N-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine?
N-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine has a molecular weight of 333.56 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]oxypropan-2-imine is sourced from PubChem (CID 21015060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).