3-[(ethylideneamino)methylidene]pent-4-en-1-amine

C8H14N2 — CID 123329638

IUPAC3-[(ethylideneamino)methylidene]pent-4-en-1-amine
SMILESC=CC(=C/N=C/C)CCN
InChIInChI=1S/C8H14N2/c1-3-8(5-6-9)7-10-4-2/h3-4,7H,1,5-6,9H2,2H3/b8-7?,10-4+
InChIKeyGOZIWUFZLMMMMB-RIUBPTLBSA-N
MW138.21 g/mol
LogP1.50
Rot. Bonds4

About 3-[(ethylideneamino)methylidene]pent-4-en-1-amine

3-[(ethylideneamino)methylidene]pent-4-en-1-amine (PubChem CID 123329638) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-[(ethylideneamino)methylidene]pent-4-en-1-amine.

Molecular Properties

Compound Name3-[(ethylideneamino)methylidene]pent-4-en-1-amine
PubChem CID123329638
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-[(ethylideneamino)methylidene]pent-4-en-1-amine
SMILESC=CC(=C/N=C/C)CCN
InChIInChI=1S/C8H14N2/c1-3-8(5-6-9)7-10-4-2/h3-4,7H,1,5-6,9H2,2H3/b8-7?,10-4+
InChIKeyGOZIWUFZLMMMMB-RIUBPTLBSA-N
XLogP1.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(ethylideneamino)methylidene]pent-4-en-1-amine?
The IUPAC name of 3-[(ethylideneamino)methylidene]pent-4-en-1-amine (CID 123329638) is 3-[(ethylideneamino)methylidene]pent-4-en-1-amine.
What is the SMILES notation for 3-[(ethylideneamino)methylidene]pent-4-en-1-amine?
The canonical SMILES for 3-[(ethylideneamino)methylidene]pent-4-en-1-amine is C=CC(=C/N=C/C)CCN.
What is the InChIKey of 3-[(ethylideneamino)methylidene]pent-4-en-1-amine?
The InChIKey is GOZIWUFZLMMMMB-RIUBPTLBSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-8(5-6-9)7-10-4-2/h3-4,7H,1,5-6,9H2,2H3/b8-7?,10-4+.
What are the key properties of 3-[(ethylideneamino)methylidene]pent-4-en-1-amine?
3-[(ethylideneamino)methylidene]pent-4-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(ethylideneamino)methylidene]pent-4-en-1-amine is sourced from PubChem (CID 123329638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).