ethene;propane-1,3-diamine

C5H14N2 — CID 158358945

IUPACethene;propane-1,3-diamine
SMILESC=C.NCCCN
InChIInChI=1S/C3H10N2.C2H4/c4-2-1-3-5;1-2/h1-5H2;1-2H2
InChIKeyGTFQJDGPLADZGS-UHFFFAOYSA-N
MW102.18 g/mol
LogP0.10
Rot. Bonds2

About ethene;propane-1,3-diamine

ethene;propane-1,3-diamine (PubChem CID 158358945) has the molecular formula C5H14N2 and a molecular weight of 102.18 g/mol. Its IUPAC name is ethene;propane-1,3-diamine.

Molecular Properties

Compound Nameethene;propane-1,3-diamine
PubChem CID158358945
Molecular FormulaC5H14N2
Molecular Weight102.18 g/mol
Exact Mass102.12
IUPAC Nameethene;propane-1,3-diamine
SMILESC=C.NCCCN
InChIInChI=1S/C3H10N2.C2H4/c4-2-1-3-5;1-2/h1-5H2;1-2H2
InChIKeyGTFQJDGPLADZGS-UHFFFAOYSA-N
XLogP0.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethene;propane-1,3-diamine?
The IUPAC name of ethene;propane-1,3-diamine (CID 158358945) is ethene;propane-1,3-diamine.
What is the SMILES notation for ethene;propane-1,3-diamine?
The canonical SMILES for ethene;propane-1,3-diamine is C=C.NCCCN.
What is the InChIKey of ethene;propane-1,3-diamine?
The InChIKey is GTFQJDGPLADZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2.C2H4/c4-2-1-3-5;1-2/h1-5H2;1-2H2.
What are the key properties of ethene;propane-1,3-diamine?
ethene;propane-1,3-diamine has a molecular weight of 102.18 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;propane-1,3-diamine is sourced from PubChem (CID 158358945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).