2-ethyl-N,2-dimethyl-N-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine

C16H34N2O — CID 55226449

IUPAC2-ethyl-N,2-dimethyl-N-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(C)CC1CCCOC1
InChIInChI=1S/C16H34N2O/c1-5-9-17-13-16(3,6-2)14-18(4)11-15-8-7-10-19-12-15/h15,17H,5-14H2,1-4H3
InChIKeyQWRNBKFJJCBYTR-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds9

About 2-ethyl-N,2-dimethyl-N-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine

2-ethyl-N,2-dimethyl-N-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine (PubChem CID 55226449) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-ethyl-N,2-dimethyl-N-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N,2-dimethyl-N-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine
PubChem CID55226449
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-ethyl-N,2-dimethyl-N-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(C)CC1CCCOC1
InChIInChI=1S/C16H34N2O/c1-5-9-17-13-16(3,6-2)14-18(4)11-15-8-7-10-19-12-15/h15,17H,5-14H2,1-4H3
InChIKeyQWRNBKFJJCBYTR-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
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 2-ethyl-N,2-dimethyl-N-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N,2-dimethyl-N-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine (CID 55226449) is 2-ethyl-N,2-dimethyl-N-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N,2-dimethyl-N-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N,2-dimethyl-N-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine is CCCNCC(C)(CC)CN(C)CC1CCCOC1.
What is the InChIKey of 2-ethyl-N,2-dimethyl-N-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine?
The InChIKey is QWRNBKFJJCBYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-9-17-13-16(3,6-2)14-18(4)11-15-8-7-10-19-12-15/h15,17H,5-14H2,1-4H3.
What are the key properties of 2-ethyl-N,2-dimethyl-N-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine?
2-ethyl-N,2-dimethyl-N-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,2-dimethyl-N-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 55226449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).