(E)-N-ethylprop-1-ene-1,3-diamine

C5H12N2 — CID 87221928

IUPAC(E)-N-ethylprop-1-ene-1,3-diamine
SMILESCCN/C=C/CN
InChIInChI=1S/C5H12N2/c1-2-7-5-3-4-6/h3,5,7H,2,4,6H2,1H3/b5-3+
InChIKeyRSJXXHIYYICTAZ-HWKANZROSA-N
MW100.16 g/mol
LogP0.07
Rot. Bonds3

About (E)-N-ethylprop-1-ene-1,3-diamine

(E)-N-ethylprop-1-ene-1,3-diamine (PubChem CID 87221928) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is (E)-N-ethylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-N-ethylprop-1-ene-1,3-diamine
PubChem CID87221928
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name(E)-N-ethylprop-1-ene-1,3-diamine
SMILESCCN/C=C/CN
InChIInChI=1S/C5H12N2/c1-2-7-5-3-4-6/h3,5,7H,2,4,6H2,1H3/b5-3+
InChIKeyRSJXXHIYYICTAZ-HWKANZROSA-N
XLogP0.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethylprop-1-ene-1,3-diamine?
The IUPAC name of (E)-N-ethylprop-1-ene-1,3-diamine (CID 87221928) is (E)-N-ethylprop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-N-ethylprop-1-ene-1,3-diamine?
The canonical SMILES for (E)-N-ethylprop-1-ene-1,3-diamine is CCN/C=C/CN.
What is the InChIKey of (E)-N-ethylprop-1-ene-1,3-diamine?
The InChIKey is RSJXXHIYYICTAZ-HWKANZROSA-N. The full InChI is InChI=1S/C5H12N2/c1-2-7-5-3-4-6/h3,5,7H,2,4,6H2,1H3/b5-3+.
What are the key properties of (E)-N-ethylprop-1-ene-1,3-diamine?
(E)-N-ethylprop-1-ene-1,3-diamine has a molecular weight of 100.16 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethylprop-1-ene-1,3-diamine is sourced from PubChem (CID 87221928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).