(2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine

C11H21NO — CID 79329656

IUPAC(2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine
SMILESCCNC/C(=C\C1CCOC1)CC
InChIInChI=1S/C11H21NO/c1-3-10(8-12-4-2)7-11-5-6-13-9-11/h7,11-12H,3-6,8-9H2,1-2H3/b10-7-
InChIKeyITACQIOSRNCYKA-YFHOEESVSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds5

About (2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine

(2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine (PubChem CID 79329656) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine.

Molecular Properties

Compound Name(2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine
PubChem CID79329656
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine
SMILESCCNC/C(=C\C1CCOC1)CC
InChIInChI=1S/C11H21NO/c1-3-10(8-12-4-2)7-11-5-6-13-9-11/h7,11-12H,3-6,8-9H2,1-2H3/b10-7-
InChIKeyITACQIOSRNCYKA-YFHOEESVSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
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 (2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine?
The IUPAC name of (2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine (CID 79329656) is (2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine.
What is the SMILES notation for (2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine?
The canonical SMILES for (2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine is CCNC/C(=C\C1CCOC1)CC.
What is the InChIKey of (2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine?
The InChIKey is ITACQIOSRNCYKA-YFHOEESVSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10(8-12-4-2)7-11-5-6-13-9-11/h7,11-12H,3-6,8-9H2,1-2H3/b10-7-.
What are the key properties of (2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine?
(2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79329656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).