1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine

C6H13N3 — CID 171644644

IUPAC1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine
SMILESC=CC(N)NC(=C)NC
InChIInChI=1S/C6H13N3/c1-4-6(7)9-5(2)8-3/h4,6,8-9H,1-2,7H2,3H3
InChIKeyYGKTXLRPDVVYLJ-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.26
Rot. Bonds4

About 1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine

1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine (PubChem CID 171644644) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine
PubChem CID171644644
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine
SMILESC=CC(N)NC(=C)NC
InChIInChI=1S/C6H13N3/c1-4-6(7)9-5(2)8-3/h4,6,8-9H,1-2,7H2,3H3
InChIKeyYGKTXLRPDVVYLJ-UHFFFAOYSA-N
XLogP-0.26
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine?
The IUPAC name of 1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine (CID 171644644) is 1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine.
What is the SMILES notation for 1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine?
The canonical SMILES for 1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine is C=CC(N)NC(=C)NC.
What is the InChIKey of 1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine?
The InChIKey is YGKTXLRPDVVYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-4-6(7)9-5(2)8-3/h4,6,8-9H,1-2,7H2,3H3.
What are the key properties of 1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine?
1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine has a molecular weight of 127.19 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[1-(methylamino)ethenyl]prop-2-ene-1,1-diamine is sourced from PubChem (CID 171644644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).