2-[(E)-but-2-enoxy]-3-methylbutan-1-amine

C9H19NO — CID 11073682

IUPAC2-[(E)-but-2-enoxy]-3-methylbutan-1-amine
SMILESC/C=C/COC(CN)C(C)C
InChIInChI=1S/C9H19NO/c1-4-5-6-11-9(7-10)8(2)3/h4-5,8-9H,6-7,10H2,1-3H3/b5-4+
InChIKeyGOSJTMJONWUCBM-SNAWJCMRSA-N
MW157.26 g/mol
LogP1.56
Rot. Bonds5

About 2-[(E)-but-2-enoxy]-3-methylbutan-1-amine

2-[(E)-but-2-enoxy]-3-methylbutan-1-amine (PubChem CID 11073682) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-[(E)-but-2-enoxy]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(E)-but-2-enoxy]-3-methylbutan-1-amine
PubChem CID11073682
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-[(E)-but-2-enoxy]-3-methylbutan-1-amine
SMILESC/C=C/COC(CN)C(C)C
InChIInChI=1S/C9H19NO/c1-4-5-6-11-9(7-10)8(2)3/h4-5,8-9H,6-7,10H2,1-3H3/b5-4+
InChIKeyGOSJTMJONWUCBM-SNAWJCMRSA-N
XLogP1.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enoxy]-3-methylbutan-1-amine?
The IUPAC name of 2-[(E)-but-2-enoxy]-3-methylbutan-1-amine (CID 11073682) is 2-[(E)-but-2-enoxy]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(E)-but-2-enoxy]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(E)-but-2-enoxy]-3-methylbutan-1-amine is C/C=C/COC(CN)C(C)C.
What is the InChIKey of 2-[(E)-but-2-enoxy]-3-methylbutan-1-amine?
The InChIKey is GOSJTMJONWUCBM-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-6-11-9(7-10)8(2)3/h4-5,8-9H,6-7,10H2,1-3H3/b5-4+.
What are the key properties of 2-[(E)-but-2-enoxy]-3-methylbutan-1-amine?
2-[(E)-but-2-enoxy]-3-methylbutan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enoxy]-3-methylbutan-1-amine is sourced from PubChem (CID 11073682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).