2-[(E)-prop-1-enyl]iminopentan-1-amine

C8H16N2 — CID 130181341

IUPAC2-[(E)-prop-1-enyl]iminopentan-1-amine
SMILESC/C=C/N=C(/CN)CCC
InChIInChI=1S/C8H16N2/c1-3-5-8(7-9)10-6-4-2/h4,6H,3,5,7,9H2,1-2H3/b6-4+,10-8+
InChIKeyYBMGQDZIPAMTET-ONNLMXTPSA-N
MW140.23 g/mol
LogP1.72
Rot. Bonds4

About 2-[(E)-prop-1-enyl]iminopentan-1-amine

2-[(E)-prop-1-enyl]iminopentan-1-amine (PubChem CID 130181341) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]iminopentan-1-amine.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]iminopentan-1-amine
PubChem CID130181341
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-[(E)-prop-1-enyl]iminopentan-1-amine
SMILESC/C=C/N=C(/CN)CCC
InChIInChI=1S/C8H16N2/c1-3-5-8(7-9)10-6-4-2/h4,6H,3,5,7,9H2,1-2H3/b6-4+,10-8+
InChIKeyYBMGQDZIPAMTET-ONNLMXTPSA-N
XLogP1.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.72
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 2-[(E)-prop-1-enyl]iminopentan-1-amine?
The IUPAC name of 2-[(E)-prop-1-enyl]iminopentan-1-amine (CID 130181341) is 2-[(E)-prop-1-enyl]iminopentan-1-amine.
What is the SMILES notation for 2-[(E)-prop-1-enyl]iminopentan-1-amine?
The canonical SMILES for 2-[(E)-prop-1-enyl]iminopentan-1-amine is C/C=C/N=C(/CN)CCC.
What is the InChIKey of 2-[(E)-prop-1-enyl]iminopentan-1-amine?
The InChIKey is YBMGQDZIPAMTET-ONNLMXTPSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-5-8(7-9)10-6-4-2/h4,6H,3,5,7,9H2,1-2H3/b6-4+,10-8+.
What are the key properties of 2-[(E)-prop-1-enyl]iminopentan-1-amine?
2-[(E)-prop-1-enyl]iminopentan-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]iminopentan-1-amine is sourced from PubChem (CID 130181341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).