N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine

C10H24N2O — CID 106450802

IUPACN'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine
SMILESCCCOCCN(CC)CCCN
InChIInChI=1S/C10H24N2O/c1-3-9-13-10-8-12(4-2)7-5-6-11/h3-11H2,1-2H3
InChIKeyKCBUQDIIVUNWPT-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.08
Rot. Bonds9

About N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine

N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine (PubChem CID 106450802) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine
PubChem CID106450802
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC NameN'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine
SMILESCCCOCCN(CC)CCCN
InChIInChI=1S/C10H24N2O/c1-3-9-13-10-8-12(4-2)7-5-6-11/h3-11H2,1-2H3
InChIKeyKCBUQDIIVUNWPT-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.08
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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Related Compounds

3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine
CID 106457825
N'-ethyl-N'-[2-(3-methoxypropoxy)ethyl]propane-1,3-diamine
CID 103178048
N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine
CID 88853551
N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 61492236
N'-(2-butoxyethyl)-N'-ethylethane-1,2-diamine
CID 61483279
4-[2-(diethylamino)ethoxy]butan-1-amine
CID 62459330
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
N'-butyl-N'-ethylpropane-1,3-diamine
CID 16768199
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[3-[3-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]propyl-ethylamino]propyl]amino]propyl]amino]propyl]propane-1,3-diamine
CID 59097400
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
N'-(2-aminoethyl)-N'-ethylpropane-1,3-diamine
CID 55289486

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine (CID 106450802) is N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine is CCCOCCN(CC)CCCN.
What is the InChIKey of N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine?
The InChIKey is KCBUQDIIVUNWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-3-9-13-10-8-12(4-2)7-5-6-11/h3-11H2,1-2H3.
What are the key properties of N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine?
N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine has a molecular weight of 188.31 g/mol, XLogP of 1.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 106450802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).