N'-prop-2-enylethane-1,2-diamine

C5H12N2 — CID 520997

IUPACN'-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN
InChIInChI=1S/C5H12N2/c1-2-4-7-5-3-6/h2,7H,1,3-6H2
InChIKeyYDLDORZAYJTSMR-UHFFFAOYSA-N
MW100.16 g/mol
LogP-0.28
Rot. Bonds4

About N'-prop-2-enylethane-1,2-diamine

N'-prop-2-enylethane-1,2-diamine (PubChem CID 520997) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N'-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-prop-2-enylethane-1,2-diamine
PubChem CID520997
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN'-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN
InChIInChI=1S/C5H12N2/c1-2-4-7-5-3-6/h2,7H,1,3-6H2
InChIKeyYDLDORZAYJTSMR-UHFFFAOYSA-N
XLogP-0.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-prop-2-enylethane-1,2-diamine (CID 520997) is N'-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-prop-2-enylethane-1,2-diamine is C=CCNCCN.
What is the InChIKey of N'-prop-2-enylethane-1,2-diamine?
The InChIKey is YDLDORZAYJTSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-2-4-7-5-3-6/h2,7H,1,3-6H2.
What are the key properties of N'-prop-2-enylethane-1,2-diamine?
N'-prop-2-enylethane-1,2-diamine has a molecular weight of 100.16 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 520997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).