1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine

C9H17N3 — CID 88756017

IUPAC1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine
SMILESC=CCN(CC(=C)N)CC(=C)N
InChIInChI=1S/C9H17N3/c1-4-5-12(6-8(2)10)7-9(3)11/h4H,1-3,5-7,10-11H2
InChIKeyGLKFSBYCZJCQBK-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.42
Rot. Bonds6

About 1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine

1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine (PubChem CID 88756017) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine
PubChem CID88756017
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine
SMILESC=CCN(CC(=C)N)CC(=C)N
InChIInChI=1S/C9H17N3/c1-4-5-12(6-8(2)10)7-9(3)11/h4H,1-3,5-7,10-11H2
InChIKeyGLKFSBYCZJCQBK-UHFFFAOYSA-N
XLogP0.42
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine?
The IUPAC name of 1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine (CID 88756017) is 1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine.
What is the SMILES notation for 1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine?
The canonical SMILES for 1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine is C=CCN(CC(=C)N)CC(=C)N.
What is the InChIKey of 1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine?
The InChIKey is GLKFSBYCZJCQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-5-12(6-8(2)10)7-9(3)11/h4H,1-3,5-7,10-11H2.
What are the key properties of 1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine?
1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine has a molecular weight of 167.26 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminoprop-2-enyl)-1-N-prop-2-enylprop-2-ene-1,2-diamine is sourced from PubChem (CID 88756017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).