N',N'-diethyl-N-methoxypropane-1,3-diamine

C8H20N2O — CID 21364273

IUPACN',N'-diethyl-N-methoxypropane-1,3-diamine
SMILESCCN(CC)CCCNOC
InChIInChI=1S/C8H20N2O/c1-4-10(5-2)8-6-7-9-11-3/h9H,4-8H2,1-3H3
InChIKeyHXQHEGDYXCWEMJ-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.87
Rot. Bonds7

About N',N'-diethyl-N-methoxypropane-1,3-diamine

N',N'-diethyl-N-methoxypropane-1,3-diamine (PubChem CID 21364273) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is N',N'-diethyl-N-methoxypropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-methoxypropane-1,3-diamine
PubChem CID21364273
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC NameN',N'-diethyl-N-methoxypropane-1,3-diamine
SMILESCCN(CC)CCCNOC
InChIInChI=1S/C8H20N2O/c1-4-10(5-2)8-6-7-9-11-3/h9H,4-8H2,1-3H3
InChIKeyHXQHEGDYXCWEMJ-UHFFFAOYSA-N
XLogP0.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-methoxypropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-methoxypropane-1,3-diamine (CID 21364273) is N',N'-diethyl-N-methoxypropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-methoxypropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-methoxypropane-1,3-diamine is CCN(CC)CCCNOC.
What is the InChIKey of N',N'-diethyl-N-methoxypropane-1,3-diamine?
The InChIKey is HXQHEGDYXCWEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-4-10(5-2)8-6-7-9-11-3/h9H,4-8H2,1-3H3.
What are the key properties of N',N'-diethyl-N-methoxypropane-1,3-diamine?
N',N'-diethyl-N-methoxypropane-1,3-diamine has a molecular weight of 160.26 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-methoxypropane-1,3-diamine is sourced from PubChem (CID 21364273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).