(E)-1-(ethylideneamino)pent-1-en-2-amine

C7H14N2 — CID 172628372

IUPAC(E)-1-(ethylideneamino)pent-1-en-2-amine
SMILESC/C=N/C=C(/N)CCC
InChIInChI=1S/C7H14N2/c1-3-5-7(8)6-9-4-2/h4,6H,3,5,8H2,1-2H3/b7-6+,9-4+
InChIKeyRMEVBUNHQTWLBJ-PIAAQLDDSA-N
MW126.20 g/mol
LogP1.68
Rot. Bonds3

About (E)-1-(ethylideneamino)pent-1-en-2-amine

(E)-1-(ethylideneamino)pent-1-en-2-amine (PubChem CID 172628372) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (E)-1-(ethylideneamino)pent-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-(ethylideneamino)pent-1-en-2-amine
PubChem CID172628372
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(E)-1-(ethylideneamino)pent-1-en-2-amine
SMILESC/C=N/C=C(/N)CCC
InChIInChI=1S/C7H14N2/c1-3-5-7(8)6-9-4-2/h4,6H,3,5,8H2,1-2H3/b7-6+,9-4+
InChIKeyRMEVBUNHQTWLBJ-PIAAQLDDSA-N
XLogP1.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(ethylideneamino)pent-1-en-2-amine?
The IUPAC name of (E)-1-(ethylideneamino)pent-1-en-2-amine (CID 172628372) is (E)-1-(ethylideneamino)pent-1-en-2-amine.
What is the SMILES notation for (E)-1-(ethylideneamino)pent-1-en-2-amine?
The canonical SMILES for (E)-1-(ethylideneamino)pent-1-en-2-amine is C/C=N/C=C(/N)CCC.
What is the InChIKey of (E)-1-(ethylideneamino)pent-1-en-2-amine?
The InChIKey is RMEVBUNHQTWLBJ-PIAAQLDDSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-5-7(8)6-9-4-2/h4,6H,3,5,8H2,1-2H3/b7-6+,9-4+.
What are the key properties of (E)-1-(ethylideneamino)pent-1-en-2-amine?
(E)-1-(ethylideneamino)pent-1-en-2-amine has a molecular weight of 126.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(ethylideneamino)pent-1-en-2-amine is sourced from PubChem (CID 172628372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).