3-[(E)-but-2-en-2-yl]oxy-N-methylpropan-1-amine

C8H17NO — CID 176910185

IUPAC3-[(E)-but-2-en-2-yl]oxy-N-methylpropan-1-amine
SMILESC/C=C(\C)OCCCNC
InChIInChI=1S/C8H17NO/c1-4-8(2)10-7-5-6-9-3/h4,9H,5-7H2,1-3H3/b8-4+
InChIKeyOJVFAKKUDKVPPC-XBXARRHUSA-N
MW143.23 g/mol
LogP1.54
Rot. Bonds5

About 3-[(E)-but-2-en-2-yl]oxy-N-methylpropan-1-amine

3-[(E)-but-2-en-2-yl]oxy-N-methylpropan-1-amine (PubChem CID 176910185) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-[(E)-but-2-en-2-yl]oxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(E)-but-2-en-2-yl]oxy-N-methylpropan-1-amine
PubChem CID176910185
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-[(E)-but-2-en-2-yl]oxy-N-methylpropan-1-amine
SMILESC/C=C(\C)OCCCNC
InChIInChI=1S/C8H17NO/c1-4-8(2)10-7-5-6-9-3/h4,9H,5-7H2,1-3H3/b8-4+
InChIKeyOJVFAKKUDKVPPC-XBXARRHUSA-N
XLogP1.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-2-en-2-yl]oxy-N-methylpropan-1-amine?
The IUPAC name of 3-[(E)-but-2-en-2-yl]oxy-N-methylpropan-1-amine (CID 176910185) is 3-[(E)-but-2-en-2-yl]oxy-N-methylpropan-1-amine.
What is the SMILES notation for 3-[(E)-but-2-en-2-yl]oxy-N-methylpropan-1-amine?
The canonical SMILES for 3-[(E)-but-2-en-2-yl]oxy-N-methylpropan-1-amine is C/C=C(\C)OCCCNC.
What is the InChIKey of 3-[(E)-but-2-en-2-yl]oxy-N-methylpropan-1-amine?
The InChIKey is OJVFAKKUDKVPPC-XBXARRHUSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-8(2)10-7-5-6-9-3/h4,9H,5-7H2,1-3H3/b8-4+.
What are the key properties of 3-[(E)-but-2-en-2-yl]oxy-N-methylpropan-1-amine?
3-[(E)-but-2-en-2-yl]oxy-N-methylpropan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-en-2-yl]oxy-N-methylpropan-1-amine is sourced from PubChem (CID 176910185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).