(E)-N,1-bis(methylideneamino)prop-1-en-2-amine

C5H9N3 — CID 139566219

IUPAC(E)-N,1-bis(methylideneamino)prop-1-en-2-amine
SMILESC=N/C=C(\C)NN=C
InChIInChI=1S/C5H9N3/c1-5(4-6-2)8-7-3/h4,8H,2-3H2,1H3/b5-4+
InChIKeyZNJVPYMMNBVHPE-SNAWJCMRSA-N
MW111.15 g/mol
LogP0.75
Rot. Bonds3

About (E)-N,1-bis(methylideneamino)prop-1-en-2-amine

(E)-N,1-bis(methylideneamino)prop-1-en-2-amine (PubChem CID 139566219) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is (E)-N,1-bis(methylideneamino)prop-1-en-2-amine.

Molecular Properties

Compound Name(E)-N,1-bis(methylideneamino)prop-1-en-2-amine
PubChem CID139566219
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name(E)-N,1-bis(methylideneamino)prop-1-en-2-amine
SMILESC=N/C=C(\C)NN=C
InChIInChI=1S/C5H9N3/c1-5(4-6-2)8-7-3/h4,8H,2-3H2,1H3/b5-4+
InChIKeyZNJVPYMMNBVHPE-SNAWJCMRSA-N
XLogP0.75
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,1-bis(methylideneamino)prop-1-en-2-amine?
The IUPAC name of (E)-N,1-bis(methylideneamino)prop-1-en-2-amine (CID 139566219) is (E)-N,1-bis(methylideneamino)prop-1-en-2-amine.
What is the SMILES notation for (E)-N,1-bis(methylideneamino)prop-1-en-2-amine?
The canonical SMILES for (E)-N,1-bis(methylideneamino)prop-1-en-2-amine is C=N/C=C(\C)NN=C.
What is the InChIKey of (E)-N,1-bis(methylideneamino)prop-1-en-2-amine?
The InChIKey is ZNJVPYMMNBVHPE-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H9N3/c1-5(4-6-2)8-7-3/h4,8H,2-3H2,1H3/b5-4+.
What are the key properties of (E)-N,1-bis(methylideneamino)prop-1-en-2-amine?
(E)-N,1-bis(methylideneamino)prop-1-en-2-amine has a molecular weight of 111.15 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,1-bis(methylideneamino)prop-1-en-2-amine is sourced from PubChem (CID 139566219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).