1-N-[(E)-2-aminoethenyl]-1-N-(2-aminopropyl)propane-1,2-diamine

C8H20N4 — CID 87897317

IUPAC1-N-[(E)-2-aminoethenyl]-1-N-(2-aminopropyl)propane-1,2-diamine
SMILESCC(N)CN(/C=C/N)CC(C)N
InChIInChI=1S/C8H20N4/c1-7(10)5-12(4-3-9)6-8(2)11/h3-4,7-8H,5-6,9-11H2,1-2H3/b4-3+
InChIKeyPZURBVWJPOCSQV-ONEGZZNKSA-N
MW172.28 g/mol
LogP-0.59
Rot. Bonds5

About 1-N-[(E)-2-aminoethenyl]-1-N-(2-aminopropyl)propane-1,2-diamine

1-N-[(E)-2-aminoethenyl]-1-N-(2-aminopropyl)propane-1,2-diamine (PubChem CID 87897317) has the molecular formula C8H20N4 and a molecular weight of 172.28 g/mol. Its IUPAC name is 1-N-[(E)-2-aminoethenyl]-1-N-(2-aminopropyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(E)-2-aminoethenyl]-1-N-(2-aminopropyl)propane-1,2-diamine
PubChem CID87897317
Molecular FormulaC8H20N4
Molecular Weight172.28 g/mol
Exact Mass172.17
IUPAC Name1-N-[(E)-2-aminoethenyl]-1-N-(2-aminopropyl)propane-1,2-diamine
SMILESCC(N)CN(/C=C/N)CC(C)N
InChIInChI=1S/C8H20N4/c1-7(10)5-12(4-3-9)6-8(2)11/h3-4,7-8H,5-6,9-11H2,1-2H3/b4-3+
InChIKeyPZURBVWJPOCSQV-ONEGZZNKSA-N
XLogP-0.59
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(E)-2-aminoethenyl]-1-N-(2-aminopropyl)propane-1,2-diamine?
The IUPAC name of 1-N-[(E)-2-aminoethenyl]-1-N-(2-aminopropyl)propane-1,2-diamine (CID 87897317) is 1-N-[(E)-2-aminoethenyl]-1-N-(2-aminopropyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-[(E)-2-aminoethenyl]-1-N-(2-aminopropyl)propane-1,2-diamine?
The canonical SMILES for 1-N-[(E)-2-aminoethenyl]-1-N-(2-aminopropyl)propane-1,2-diamine is CC(N)CN(/C=C/N)CC(C)N.
What is the InChIKey of 1-N-[(E)-2-aminoethenyl]-1-N-(2-aminopropyl)propane-1,2-diamine?
The InChIKey is PZURBVWJPOCSQV-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H20N4/c1-7(10)5-12(4-3-9)6-8(2)11/h3-4,7-8H,5-6,9-11H2,1-2H3/b4-3+.
What are the key properties of 1-N-[(E)-2-aminoethenyl]-1-N-(2-aminopropyl)propane-1,2-diamine?
1-N-[(E)-2-aminoethenyl]-1-N-(2-aminopropyl)propane-1,2-diamine has a molecular weight of 172.28 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(E)-2-aminoethenyl]-1-N-(2-aminopropyl)propane-1,2-diamine is sourced from PubChem (CID 87897317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).