2-ethoxypropane-1,3-diamine

C5H14N2O — CID 25198369

IUPAC2-ethoxypropane-1,3-diamine
SMILESCCOC(CN)CN
InChIInChI=1S/C5H14N2O/c1-2-8-5(3-6)4-7/h5H,2-4,6-7H2,1H3
InChIKeyLHYPCRYZSCFULV-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.69
Rot. Bonds4

About 2-ethoxypropane-1,3-diamine

2-ethoxypropane-1,3-diamine (PubChem CID 25198369) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-ethoxypropane-1,3-diamine.

Molecular Properties

Compound Name2-ethoxypropane-1,3-diamine
PubChem CID25198369
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name2-ethoxypropane-1,3-diamine
SMILESCCOC(CN)CN
InChIInChI=1S/C5H14N2O/c1-2-8-5(3-6)4-7/h5H,2-4,6-7H2,1H3
InChIKeyLHYPCRYZSCFULV-UHFFFAOYSA-N
XLogP-0.69
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propoxyethylamine
CID 111878
2-(Propan-2-yloxy)ethan-1-amine
CID 533866
2-Ethoxypropan-1-amine
CID 22450283
2-Methoxypropane-1,3-diamine
CID 9911138
2-Methoxypropan-1-amine hydrochloride
CID 17178035
(2-Ethoxypropyl)amine hydrochloride
CID 44236855
2-(Tert-butoxy)propan-1-amine
CID 57152031
2-(Propan-2-yloxy)ethan-1-amine hydrochloride
CID 73554441
(2R)-2-methoxypropan-1-amine hydrochloride
CID 84819324
2-Methoxypropan-1-amine
CID 12609719
2-Propoxypropan-1-amine
CID 22450269
(2R)-2-ethoxybutane-1,4-diamine
CID 11589357

Frequently Asked Questions

What is the IUPAC name of 2-ethoxypropane-1,3-diamine?
The IUPAC name of 2-ethoxypropane-1,3-diamine (CID 25198369) is 2-ethoxypropane-1,3-diamine.
What is the SMILES notation for 2-ethoxypropane-1,3-diamine?
The canonical SMILES for 2-ethoxypropane-1,3-diamine is CCOC(CN)CN.
What is the InChIKey of 2-ethoxypropane-1,3-diamine?
The InChIKey is LHYPCRYZSCFULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-2-8-5(3-6)4-7/h5H,2-4,6-7H2,1H3.
What are the key properties of 2-ethoxypropane-1,3-diamine?
2-ethoxypropane-1,3-diamine has a molecular weight of 118.18 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypropane-1,3-diamine is sourced from PubChem (CID 25198369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).