N'-propoxyethane-1,2-diamine

C5H14N2O — CID 55289277

IUPACN'-propoxyethane-1,2-diamine
SMILESCCCONCCN
InChIInChI=1S/C5H14N2O/c1-2-5-8-7-4-3-6/h7H,2-6H2,1H3
InChIKeyNWTXNNXTTHZDJI-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.12
Rot. Bonds5

About N'-propoxyethane-1,2-diamine

N'-propoxyethane-1,2-diamine (PubChem CID 55289277) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is N'-propoxyethane-1,2-diamine.

Molecular Properties

Compound NameN'-propoxyethane-1,2-diamine
PubChem CID55289277
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC NameN'-propoxyethane-1,2-diamine
SMILESCCCONCCN
InChIInChI=1S/C5H14N2O/c1-2-5-8-7-4-3-6/h7H,2-6H2,1H3
InChIKeyNWTXNNXTTHZDJI-UHFFFAOYSA-N
XLogP-0.12
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
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'-propoxyethane-1,2-diamine?
The IUPAC name of N'-propoxyethane-1,2-diamine (CID 55289277) is N'-propoxyethane-1,2-diamine.
What is the SMILES notation for N'-propoxyethane-1,2-diamine?
The canonical SMILES for N'-propoxyethane-1,2-diamine is CCCONCCN.
What is the InChIKey of N'-propoxyethane-1,2-diamine?
The InChIKey is NWTXNNXTTHZDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-2-5-8-7-4-3-6/h7H,2-6H2,1H3.
What are the key properties of N'-propoxyethane-1,2-diamine?
N'-propoxyethane-1,2-diamine has a molecular weight of 118.18 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propoxyethane-1,2-diamine is sourced from PubChem (CID 55289277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).