(E)-N-[(E)-but-1-enyl]but-1-en-1-amine

C8H15N — CID 14455014

IUPAC(E)-N-[(E)-but-1-enyl]but-1-en-1-amine
SMILESCC/C=C/N/C=C/CC
InChIInChI=1S/C8H15N/c1-3-5-7-9-8-6-4-2/h5-9H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyQBYSSRVXYXLRGE-KQQUZDAGSA-N
MW125.21 g/mol
LogP2.42
Rot. Bonds4

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

(E)-N-[(E)-but-1-enyl]but-1-en-1-amine (PubChem CID 14455014) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (E)-N-[(E)-but-1-enyl]but-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(E)-but-1-enyl]but-1-en-1-amine
PubChem CID14455014
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(E)-N-[(E)-but-1-enyl]but-1-en-1-amine
SMILESCC/C=C/N/C=C/CC
InChIInChI=1S/C8H15N/c1-3-5-7-9-8-6-4-2/h5-9H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyQBYSSRVXYXLRGE-KQQUZDAGSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-N-[(E)-but-1-enyl]but-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-but-1-enyl]but-1-en-1-amine?
The IUPAC name of (E)-N-[(E)-but-1-enyl]but-1-en-1-amine (CID 14455014) is (E)-N-[(E)-but-1-enyl]but-1-en-1-amine.
What is the SMILES notation for (E)-N-[(E)-but-1-enyl]but-1-en-1-amine?
The canonical SMILES for (E)-N-[(E)-but-1-enyl]but-1-en-1-amine is CC/C=C/N/C=C/CC.
What is the InChIKey of (E)-N-[(E)-but-1-enyl]but-1-en-1-amine?
The InChIKey is QBYSSRVXYXLRGE-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-7-9-8-6-4-2/h5-9H,3-4H2,1-2H3/b7-5+,8-6+.
What are the key properties of (E)-N-[(E)-but-1-enyl]but-1-en-1-amine?
(E)-N-[(E)-but-1-enyl]but-1-en-1-amine has a molecular weight of 125.21 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-but-1-enyl]but-1-en-1-amine is sourced from PubChem (CID 14455014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).