(E)-3-methyl-4-propoxybut-2-en-1-amine

C8H17NO — CID 55290462

IUPAC(E)-3-methyl-4-propoxybut-2-en-1-amine
SMILESCCCOC/C(C)=C/CN
InChIInChI=1S/C8H17NO/c1-3-6-10-7-8(2)4-5-9/h4H,3,5-7,9H2,1-2H3/b8-4+
InChIKeyBXVOGVVAKIPIBO-XBXARRHUSA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds5

About (E)-3-methyl-4-propoxybut-2-en-1-amine

(E)-3-methyl-4-propoxybut-2-en-1-amine (PubChem CID 55290462) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-3-methyl-4-propoxybut-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-methyl-4-propoxybut-2-en-1-amine
PubChem CID55290462
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-3-methyl-4-propoxybut-2-en-1-amine
SMILESCCCOC/C(C)=C/CN
InChIInChI=1S/C8H17NO/c1-3-6-10-7-8(2)4-5-9/h4H,3,5-7,9H2,1-2H3/b8-4+
InChIKeyBXVOGVVAKIPIBO-XBXARRHUSA-N
XLogP1.32
TPSA35.25 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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-propoxybut-2-en-1-amine?
The IUPAC name of (E)-3-methyl-4-propoxybut-2-en-1-amine (CID 55290462) is (E)-3-methyl-4-propoxybut-2-en-1-amine.
What is the SMILES notation for (E)-3-methyl-4-propoxybut-2-en-1-amine?
The canonical SMILES for (E)-3-methyl-4-propoxybut-2-en-1-amine is CCCOC/C(C)=C/CN.
What is the InChIKey of (E)-3-methyl-4-propoxybut-2-en-1-amine?
The InChIKey is BXVOGVVAKIPIBO-XBXARRHUSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-6-10-7-8(2)4-5-9/h4H,3,5-7,9H2,1-2H3/b8-4+.
What are the key properties of (E)-3-methyl-4-propoxybut-2-en-1-amine?
(E)-3-methyl-4-propoxybut-2-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-propoxybut-2-en-1-amine is sourced from PubChem (CID 55290462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).