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

C11H21NO — CID 82838509

IUPAC(2Z)-N-ethyl-2-(oxolan-2-ylmethylidene)butan-1-amine
SMILESCCNC/C(=C\C1CCCO1)CC
InChIInChI=1S/C11H21NO/c1-3-10(9-12-4-2)8-11-6-5-7-13-11/h8,11-12H,3-7,9H2,1-2H3/b10-8-
InChIKeyNMABXMMRMZYAGS-NTMALXAHSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds5

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

(2Z)-N-ethyl-2-(oxolan-2-ylmethylidene)butan-1-amine (PubChem CID 82838509) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2Z)-N-ethyl-2-(oxolan-2-ylmethylidene)butan-1-amine.

Molecular Properties

Compound Name(2Z)-N-ethyl-2-(oxolan-2-ylmethylidene)butan-1-amine
PubChem CID82838509
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2Z)-N-ethyl-2-(oxolan-2-ylmethylidene)butan-1-amine
SMILESCCNC/C(=C\C1CCCO1)CC
InChIInChI=1S/C11H21NO/c1-3-10(9-12-4-2)8-11-6-5-7-13-11/h8,11-12H,3-7,9H2,1-2H3/b10-8-
InChIKeyNMABXMMRMZYAGS-NTMALXAHSA-N
XLogP2.11
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 ≤ 52.11
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-2-ylmethylidene)butan-1-amine?
The IUPAC name of (2Z)-N-ethyl-2-(oxolan-2-ylmethylidene)butan-1-amine (CID 82838509) is (2Z)-N-ethyl-2-(oxolan-2-ylmethylidene)butan-1-amine.
What is the SMILES notation for (2Z)-N-ethyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
The canonical SMILES for (2Z)-N-ethyl-2-(oxolan-2-ylmethylidene)butan-1-amine is CCNC/C(=C\C1CCCO1)CC.
What is the InChIKey of (2Z)-N-ethyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
The InChIKey is NMABXMMRMZYAGS-NTMALXAHSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10(9-12-4-2)8-11-6-5-7-13-11/h8,11-12H,3-7,9H2,1-2H3/b10-8-.
What are the key properties of (2Z)-N-ethyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
(2Z)-N-ethyl-2-(oxolan-2-ylmethylidene)butan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 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-2-ylmethylidene)butan-1-amine is sourced from PubChem (CID 82838509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).