N-ethyl-N',2-dimethyl-N'-(oxan-4-yl)-2-propylpropane-1,3-diamine

C15H32N2O — CID 55052073

IUPACN-ethyl-N',2-dimethyl-N'-(oxan-4-yl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(C)C1CCOCC1
InChIInChI=1S/C15H32N2O/c1-5-9-15(3,12-16-6-2)13-17(4)14-7-10-18-11-8-14/h14,16H,5-13H2,1-4H3
InChIKeyORHWFISDEIETPD-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds8

About N-ethyl-N',2-dimethyl-N'-(oxan-4-yl)-2-propylpropane-1,3-diamine

N-ethyl-N',2-dimethyl-N'-(oxan-4-yl)-2-propylpropane-1,3-diamine (PubChem CID 55052073) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-ethyl-N',2-dimethyl-N'-(oxan-4-yl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N',2-dimethyl-N'-(oxan-4-yl)-2-propylpropane-1,3-diamine
PubChem CID55052073
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-ethyl-N',2-dimethyl-N'-(oxan-4-yl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNCC)CN(C)C1CCOCC1
InChIInChI=1S/C15H32N2O/c1-5-9-15(3,12-16-6-2)13-17(4)14-7-10-18-11-8-14/h14,16H,5-13H2,1-4H3
InChIKeyORHWFISDEIETPD-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',2-dimethyl-N'-(oxan-4-yl)-2-propylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N',2-dimethyl-N'-(oxan-4-yl)-2-propylpropane-1,3-diamine (CID 55052073) is N-ethyl-N',2-dimethyl-N'-(oxan-4-yl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N',2-dimethyl-N'-(oxan-4-yl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N',2-dimethyl-N'-(oxan-4-yl)-2-propylpropane-1,3-diamine is CCCC(C)(CNCC)CN(C)C1CCOCC1.
What is the InChIKey of N-ethyl-N',2-dimethyl-N'-(oxan-4-yl)-2-propylpropane-1,3-diamine?
The InChIKey is ORHWFISDEIETPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-9-15(3,12-16-6-2)13-17(4)14-7-10-18-11-8-14/h14,16H,5-13H2,1-4H3.
What are the key properties of N-ethyl-N',2-dimethyl-N'-(oxan-4-yl)-2-propylpropane-1,3-diamine?
N-ethyl-N',2-dimethyl-N'-(oxan-4-yl)-2-propylpropane-1,3-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',2-dimethyl-N'-(oxan-4-yl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 55052073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).