3-[(E)-but-1-enyl]iminopent-4-en-1-amine

C9H16N2 — CID 145011933

IUPAC3-[(E)-but-1-enyl]iminopent-4-en-1-amine
SMILESC=C/C(CCN)=N\C=C\CC
InChIInChI=1S/C9H16N2/c1-3-5-8-11-9(4-2)6-7-10/h4-5,8H,2-3,6-7,10H2,1H3/b8-5+,11-9+
InChIKeyBEUYKCQBPXWZBR-OSODFHRSSA-N
MW152.24 g/mol
LogP1.89
Rot. Bonds5

About 3-[(E)-but-1-enyl]iminopent-4-en-1-amine

3-[(E)-but-1-enyl]iminopent-4-en-1-amine (PubChem CID 145011933) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-[(E)-but-1-enyl]iminopent-4-en-1-amine.

Molecular Properties

Compound Name3-[(E)-but-1-enyl]iminopent-4-en-1-amine
PubChem CID145011933
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-[(E)-but-1-enyl]iminopent-4-en-1-amine
SMILESC=C/C(CCN)=N\C=C\CC
InChIInChI=1S/C9H16N2/c1-3-5-8-11-9(4-2)6-7-10/h4-5,8H,2-3,6-7,10H2,1H3/b8-5+,11-9+
InChIKeyBEUYKCQBPXWZBR-OSODFHRSSA-N
XLogP1.89
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.89
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 3-[(E)-but-1-enyl]iminopent-4-en-1-amine?
The IUPAC name of 3-[(E)-but-1-enyl]iminopent-4-en-1-amine (CID 145011933) is 3-[(E)-but-1-enyl]iminopent-4-en-1-amine.
What is the SMILES notation for 3-[(E)-but-1-enyl]iminopent-4-en-1-amine?
The canonical SMILES for 3-[(E)-but-1-enyl]iminopent-4-en-1-amine is C=C/C(CCN)=N\C=C\CC.
What is the InChIKey of 3-[(E)-but-1-enyl]iminopent-4-en-1-amine?
The InChIKey is BEUYKCQBPXWZBR-OSODFHRSSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-5-8-11-9(4-2)6-7-10/h4-5,8H,2-3,6-7,10H2,1H3/b8-5+,11-9+.
What are the key properties of 3-[(E)-but-1-enyl]iminopent-4-en-1-amine?
3-[(E)-but-1-enyl]iminopent-4-en-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-1-enyl]iminopent-4-en-1-amine is sourced from PubChem (CID 145011933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).