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

C12H23NO — CID 79329984

IUPAC(2Z)-N-ethyl-2-(oxan-3-ylmethylidene)butan-1-amine
SMILESCCNC/C(=C\C1CCCOC1)CC
InChIInChI=1S/C12H23NO/c1-3-11(9-13-4-2)8-12-6-5-7-14-10-12/h8,12-13H,3-7,9-10H2,1-2H3/b11-8-
InChIKeyXBHZNEJYKIGNBB-FLIBITNWSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds5

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

(2Z)-N-ethyl-2-(oxan-3-ylmethylidene)butan-1-amine (PubChem CID 79329984) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2Z)-N-ethyl-2-(oxan-3-ylmethylidene)butan-1-amine.

Molecular Properties

Compound Name(2Z)-N-ethyl-2-(oxan-3-ylmethylidene)butan-1-amine
PubChem CID79329984
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2Z)-N-ethyl-2-(oxan-3-ylmethylidene)butan-1-amine
SMILESCCNC/C(=C\C1CCCOC1)CC
InChIInChI=1S/C12H23NO/c1-3-11(9-13-4-2)8-12-6-5-7-14-10-12/h8,12-13H,3-7,9-10H2,1-2H3/b11-8-
InChIKeyXBHZNEJYKIGNBB-FLIBITNWSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
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-(oxan-3-ylmethylidene)butan-1-amine?
The IUPAC name of (2Z)-N-ethyl-2-(oxan-3-ylmethylidene)butan-1-amine (CID 79329984) is (2Z)-N-ethyl-2-(oxan-3-ylmethylidene)butan-1-amine.
What is the SMILES notation for (2Z)-N-ethyl-2-(oxan-3-ylmethylidene)butan-1-amine?
The canonical SMILES for (2Z)-N-ethyl-2-(oxan-3-ylmethylidene)butan-1-amine is CCNC/C(=C\C1CCCOC1)CC.
What is the InChIKey of (2Z)-N-ethyl-2-(oxan-3-ylmethylidene)butan-1-amine?
The InChIKey is XBHZNEJYKIGNBB-FLIBITNWSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-11(9-13-4-2)8-12-6-5-7-14-10-12/h8,12-13H,3-7,9-10H2,1-2H3/b11-8-.
What are the key properties of (2Z)-N-ethyl-2-(oxan-3-ylmethylidene)butan-1-amine?
(2Z)-N-ethyl-2-(oxan-3-ylmethylidene)butan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 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-(oxan-3-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79329984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).