2-but-3-enylimino-N-methylpropan-1-amine

C8H16N2 — CID 154949474

IUPAC2-but-3-enylimino-N-methylpropan-1-amine
SMILESC=CCC/N=C(\C)CNC
InChIInChI=1S/C8H16N2/c1-4-5-6-10-8(2)7-9-3/h4,9H,1,5-7H2,2-3H3/b10-8+
InChIKeySAWZPOMHJBDJIY-CSKARUKUSA-N
MW140.23 g/mol
LogP1.24
Rot. Bonds5

About 2-but-3-enylimino-N-methylpropan-1-amine

2-but-3-enylimino-N-methylpropan-1-amine (PubChem CID 154949474) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-but-3-enylimino-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-but-3-enylimino-N-methylpropan-1-amine
PubChem CID154949474
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-but-3-enylimino-N-methylpropan-1-amine
SMILESC=CCC/N=C(\C)CNC
InChIInChI=1S/C8H16N2/c1-4-5-6-10-8(2)7-9-3/h4,9H,1,5-7H2,2-3H3/b10-8+
InChIKeySAWZPOMHJBDJIY-CSKARUKUSA-N
XLogP1.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enylimino-N-methylpropan-1-amine?
The IUPAC name of 2-but-3-enylimino-N-methylpropan-1-amine (CID 154949474) is 2-but-3-enylimino-N-methylpropan-1-amine.
What is the SMILES notation for 2-but-3-enylimino-N-methylpropan-1-amine?
The canonical SMILES for 2-but-3-enylimino-N-methylpropan-1-amine is C=CCC/N=C(\C)CNC.
What is the InChIKey of 2-but-3-enylimino-N-methylpropan-1-amine?
The InChIKey is SAWZPOMHJBDJIY-CSKARUKUSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-5-6-10-8(2)7-9-3/h4,9H,1,5-7H2,2-3H3/b10-8+.
What are the key properties of 2-but-3-enylimino-N-methylpropan-1-amine?
2-but-3-enylimino-N-methylpropan-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enylimino-N-methylpropan-1-amine is sourced from PubChem (CID 154949474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).