N'-cyclohexyl-N'-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine

C18H36N2O — CID 79910967

IUPACN'-cyclohexyl-N'-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine
SMILESCN(CCCNC1CC(C)(C)OC1(C)C)C1CCCCC1
InChIInChI=1S/C18H36N2O/c1-17(2)14-16(18(3,4)21-17)19-12-9-13-20(5)15-10-7-6-8-11-15/h15-16,19H,6-14H2,1-5H3
InChIKeyPEQDHFIBLIEMKH-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.58
Rot. Bonds6

About N'-cyclohexyl-N'-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine

N'-cyclohexyl-N'-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine (PubChem CID 79910967) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine
PubChem CID79910967
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN'-cyclohexyl-N'-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine
SMILESCN(CCCNC1CC(C)(C)OC1(C)C)C1CCCCC1
InChIInChI=1S/C18H36N2O/c1-17(2)14-16(18(3,4)21-17)19-12-9-13-20(5)15-10-7-6-8-11-15/h15-16,19H,6-14H2,1-5H3
InChIKeyPEQDHFIBLIEMKH-UHFFFAOYSA-N
XLogP3.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine (CID 79910967) is N'-cyclohexyl-N'-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine is CN(CCCNC1CC(C)(C)OC1(C)C)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine?
The InChIKey is PEQDHFIBLIEMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-17(2)14-16(18(3,4)21-17)19-12-9-13-20(5)15-10-7-6-8-11-15/h15-16,19H,6-14H2,1-5H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine has a molecular weight of 296.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 79910967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).