(E)-N-[(Z)-ethylideneamino]but-1-en-1-amine

C6H12N2 — CID 89233443

IUPAC(E)-N-[(Z)-ethylideneamino]but-1-en-1-amine
SMILESC/C=N\N/C=C/CC
InChIInChI=1S/C6H12N2/c1-3-5-6-8-7-4-2/h4-6,8H,3H2,1-2H3/b6-5+,7-4-
InChIKeyNQKPORDSYYKVTO-NRVNPBJCSA-N
MW112.18 g/mol
LogP1.51
Rot. Bonds3

About (E)-N-[(Z)-ethylideneamino]but-1-en-1-amine

(E)-N-[(Z)-ethylideneamino]but-1-en-1-amine (PubChem CID 89233443) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (E)-N-[(Z)-ethylideneamino]but-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(Z)-ethylideneamino]but-1-en-1-amine
PubChem CID89233443
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(E)-N-[(Z)-ethylideneamino]but-1-en-1-amine
SMILESC/C=N\N/C=C/CC
InChIInChI=1S/C6H12N2/c1-3-5-6-8-7-4-2/h4-6,8H,3H2,1-2H3/b6-5+,7-4-
InChIKeyNQKPORDSYYKVTO-NRVNPBJCSA-N
XLogP1.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(Z)-ethylideneamino]but-1-en-1-amine?
The IUPAC name of (E)-N-[(Z)-ethylideneamino]but-1-en-1-amine (CID 89233443) is (E)-N-[(Z)-ethylideneamino]but-1-en-1-amine.
What is the SMILES notation for (E)-N-[(Z)-ethylideneamino]but-1-en-1-amine?
The canonical SMILES for (E)-N-[(Z)-ethylideneamino]but-1-en-1-amine is C/C=N\N/C=C/CC.
What is the InChIKey of (E)-N-[(Z)-ethylideneamino]but-1-en-1-amine?
The InChIKey is NQKPORDSYYKVTO-NRVNPBJCSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-5-6-8-7-4-2/h4-6,8H,3H2,1-2H3/b6-5+,7-4-.
What are the key properties of (E)-N-[(Z)-ethylideneamino]but-1-en-1-amine?
(E)-N-[(Z)-ethylideneamino]but-1-en-1-amine has a molecular weight of 112.18 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-ethylideneamino]but-1-en-1-amine is sourced from PubChem (CID 89233443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).