(2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine

C10H19NO — CID 82838394

IUPAC(2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine
SMILESCC(C)/C(=C\C1CCCO1)CN
InChIInChI=1S/C10H19NO/c1-8(2)9(7-11)6-10-4-3-5-12-10/h6,8,10H,3-5,7,11H2,1-2H3/b9-6-
InChIKeyOAASHRIYCQIUFD-TWGQIWQCSA-N
MW169.27 g/mol
LogP1.71
Rot. Bonds3

About (2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine

(2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine (PubChem CID 82838394) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine.

Molecular Properties

Compound Name(2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine
PubChem CID82838394
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine
SMILESCC(C)/C(=C\C1CCCO1)CN
InChIInChI=1S/C10H19NO/c1-8(2)9(7-11)6-10-4-3-5-12-10/h6,8,10H,3-5,7,11H2,1-2H3/b9-6-
InChIKeyOAASHRIYCQIUFD-TWGQIWQCSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.71
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)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
The IUPAC name of (2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine (CID 82838394) is (2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine.
What is the SMILES notation for (2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
The canonical SMILES for (2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine is CC(C)/C(=C\C1CCCO1)CN.
What is the InChIKey of (2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
The InChIKey is OAASHRIYCQIUFD-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)9(7-11)6-10-4-3-5-12-10/h6,8,10H,3-5,7,11H2,1-2H3/b9-6-.
What are the key properties of (2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
(2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine is sourced from PubChem (CID 82838394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).