2-[(E)-[(3Z)-3-ethylideneoxan-2-ylidene]methyl]-N-methylprop-2-en-1-amine

C12H19NO — CID 145278536

IUPAC2-[(E)-[(3Z)-3-ethylideneoxan-2-ylidene]methyl]-N-methylprop-2-en-1-amine
SMILESC=C(/C=C1/OCCC/C1=C/C)CNC
InChIInChI=1S/C12H19NO/c1-4-11-6-5-7-14-12(11)8-10(2)9-13-3/h4,8,13H,2,5-7,9H2,1,3H3/b11-4-,12-8+
InChIKeyVDBNQRNSJPQLTR-UUDOWHDASA-N
MW193.29 g/mol
LogP2.40
Rot. Bonds3

About 2-[(E)-[(3Z)-3-ethylideneoxan-2-ylidene]methyl]-N-methylprop-2-en-1-amine

2-[(E)-[(3Z)-3-ethylideneoxan-2-ylidene]methyl]-N-methylprop-2-en-1-amine (PubChem CID 145278536) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(E)-[(3Z)-3-ethylideneoxan-2-ylidene]methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(E)-[(3Z)-3-ethylideneoxan-2-ylidene]methyl]-N-methylprop-2-en-1-amine
PubChem CID145278536
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-[(E)-[(3Z)-3-ethylideneoxan-2-ylidene]methyl]-N-methylprop-2-en-1-amine
SMILESC=C(/C=C1/OCCC/C1=C/C)CNC
InChIInChI=1S/C12H19NO/c1-4-11-6-5-7-14-12(11)8-10(2)9-13-3/h4,8,13H,2,5-7,9H2,1,3H3/b11-4-,12-8+
InChIKeyVDBNQRNSJPQLTR-UUDOWHDASA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(3Z)-3-ethylideneoxan-2-ylidene]methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-[(E)-[(3Z)-3-ethylideneoxan-2-ylidene]methyl]-N-methylprop-2-en-1-amine (CID 145278536) is 2-[(E)-[(3Z)-3-ethylideneoxan-2-ylidene]methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-[(E)-[(3Z)-3-ethylideneoxan-2-ylidene]methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-[(E)-[(3Z)-3-ethylideneoxan-2-ylidene]methyl]-N-methylprop-2-en-1-amine is C=C(/C=C1/OCCC/C1=C/C)CNC.
What is the InChIKey of 2-[(E)-[(3Z)-3-ethylideneoxan-2-ylidene]methyl]-N-methylprop-2-en-1-amine?
The InChIKey is VDBNQRNSJPQLTR-UUDOWHDASA-N. The full InChI is InChI=1S/C12H19NO/c1-4-11-6-5-7-14-12(11)8-10(2)9-13-3/h4,8,13H,2,5-7,9H2,1,3H3/b11-4-,12-8+.
What are the key properties of 2-[(E)-[(3Z)-3-ethylideneoxan-2-ylidene]methyl]-N-methylprop-2-en-1-amine?
2-[(E)-[(3Z)-3-ethylideneoxan-2-ylidene]methyl]-N-methylprop-2-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(3Z)-3-ethylideneoxan-2-ylidene]methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 145278536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).