1-(1,2-diaminoprop-2-enoxy)prop-2-ene-1,2-diamine

C6H14N4O — CID 87501132

IUPAC1-(1,2-diaminoprop-2-enoxy)prop-2-ene-1,2-diamine
SMILESC=C(N)C(N)OC(N)C(=C)N
InChIInChI=1S/C6H14N4O/c1-3(7)5(9)11-6(10)4(2)8/h5-6H,1-2,7-10H2
InChIKeyCIQDRAQMNJPXII-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.48
Rot. Bonds4

About 1-(1,2-diaminoprop-2-enoxy)prop-2-ene-1,2-diamine

1-(1,2-diaminoprop-2-enoxy)prop-2-ene-1,2-diamine (PubChem CID 87501132) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(1,2-diaminoprop-2-enoxy)prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-(1,2-diaminoprop-2-enoxy)prop-2-ene-1,2-diamine
PubChem CID87501132
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC Name1-(1,2-diaminoprop-2-enoxy)prop-2-ene-1,2-diamine
SMILESC=C(N)C(N)OC(N)C(=C)N
InChIInChI=1S/C6H14N4O/c1-3(7)5(9)11-6(10)4(2)8/h5-6H,1-2,7-10H2
InChIKeyCIQDRAQMNJPXII-UHFFFAOYSA-N
XLogP-1.48
TPSA113.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diaminoprop-2-enoxy)prop-2-ene-1,2-diamine?
The IUPAC name of 1-(1,2-diaminoprop-2-enoxy)prop-2-ene-1,2-diamine (CID 87501132) is 1-(1,2-diaminoprop-2-enoxy)prop-2-ene-1,2-diamine.
What is the SMILES notation for 1-(1,2-diaminoprop-2-enoxy)prop-2-ene-1,2-diamine?
The canonical SMILES for 1-(1,2-diaminoprop-2-enoxy)prop-2-ene-1,2-diamine is C=C(N)C(N)OC(N)C(=C)N.
What is the InChIKey of 1-(1,2-diaminoprop-2-enoxy)prop-2-ene-1,2-diamine?
The InChIKey is CIQDRAQMNJPXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-3(7)5(9)11-6(10)4(2)8/h5-6H,1-2,7-10H2.
What are the key properties of 1-(1,2-diaminoprop-2-enoxy)prop-2-ene-1,2-diamine?
1-(1,2-diaminoprop-2-enoxy)prop-2-ene-1,2-diamine has a molecular weight of 158.20 g/mol, XLogP of -1.48, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diaminoprop-2-enoxy)prop-2-ene-1,2-diamine is sourced from PubChem (CID 87501132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).