(2E)-2-(oxolan-2-ylmethylidene)butan-1-amine

C9H17NO — CID 82838393

IUPAC(2E)-2-(oxolan-2-ylmethylidene)butan-1-amine
SMILESCC/C(=C\C1CCCO1)CN
InChIInChI=1S/C9H17NO/c1-2-8(7-10)6-9-4-3-5-11-9/h6,9H,2-5,7,10H2,1H3/b8-6+
InChIKeyBOAVZQQUVCHRIH-SOFGYWHQSA-N
MW155.24 g/mol
LogP1.46
Rot. Bonds3

About (2E)-2-(oxolan-2-ylmethylidene)butan-1-amine

(2E)-2-(oxolan-2-ylmethylidene)butan-1-amine (PubChem CID 82838393) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2E)-2-(oxolan-2-ylmethylidene)butan-1-amine.

Molecular Properties

Compound Name(2E)-2-(oxolan-2-ylmethylidene)butan-1-amine
PubChem CID82838393
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2E)-2-(oxolan-2-ylmethylidene)butan-1-amine
SMILESCC/C(=C\C1CCCO1)CN
InChIInChI=1S/C9H17NO/c1-2-8(7-10)6-9-4-3-5-11-9/h6,9H,2-5,7,10H2,1H3/b8-6+
InChIKeyBOAVZQQUVCHRIH-SOFGYWHQSA-N
XLogP1.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.46
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 (2E)-2-(oxolan-2-ylmethylidene)butan-1-amine?
The IUPAC name of (2E)-2-(oxolan-2-ylmethylidene)butan-1-amine (CID 82838393) is (2E)-2-(oxolan-2-ylmethylidene)butan-1-amine.
What is the SMILES notation for (2E)-2-(oxolan-2-ylmethylidene)butan-1-amine?
The canonical SMILES for (2E)-2-(oxolan-2-ylmethylidene)butan-1-amine is CC/C(=C\C1CCCO1)CN.
What is the InChIKey of (2E)-2-(oxolan-2-ylmethylidene)butan-1-amine?
The InChIKey is BOAVZQQUVCHRIH-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-8(7-10)6-9-4-3-5-11-9/h6,9H,2-5,7,10H2,1H3/b8-6+.
What are the key properties of (2E)-2-(oxolan-2-ylmethylidene)butan-1-amine?
(2E)-2-(oxolan-2-ylmethylidene)butan-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(oxolan-2-ylmethylidene)butan-1-amine is sourced from PubChem (CID 82838393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).