N-[2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine

C18H38N2O — CID 128963366

IUPACN-[2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNC1CC(C(C)C)OC(C(C)C)C1
InChIInChI=1S/C18H38N2O/c1-7-20(8-2)11-9-10-19-16-12-17(14(3)4)21-18(13-16)15(5)6/h14-19H,7-13H2,1-6H3
InChIKeyBPDWPZDLLOSKQI-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.54
Rot. Bonds9

About N-[2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine

N-[2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine (PubChem CID 128963366) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine
PubChem CID128963366
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC NameN-[2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNC1CC(C(C)C)OC(C(C)C)C1
InChIInChI=1S/C18H38N2O/c1-7-20(8-2)11-9-10-19-16-12-17(14(3)4)21-18(13-16)15(5)6/h14-19H,7-13H2,1-6H3
InChIKeyBPDWPZDLLOSKQI-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.54
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-[2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-[2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine (CID 128963366) is N-[2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-[2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNC1CC(C(C)C)OC(C(C)C)C1.
What is the InChIKey of N-[2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine?
The InChIKey is BPDWPZDLLOSKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-7-20(8-2)11-9-10-19-16-12-17(14(3)4)21-18(13-16)15(5)6/h14-19H,7-13H2,1-6H3.
What are the key properties of N-[2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine?
N-[2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine has a molecular weight of 298.51 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)oxan-4-yl]-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 128963366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).