(E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine

C11H19NO — CID 142987860

IUPAC(E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine
SMILESC/C=C(\C/C=C1/CCOC1)CNC
InChIInChI=1S/C11H19NO/c1-3-10(8-12-2)4-5-11-6-7-13-9-11/h3,5,12H,4,6-9H2,1-2H3/b10-3+,11-5-
InChIKeyFMTWUPJSDBBJBR-JYYVWFIKSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds4

About (E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine

(E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine (PubChem CID 142987860) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine
PubChem CID142987860
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine
SMILESC/C=C(\C/C=C1/CCOC1)CNC
InChIInChI=1S/C11H19NO/c1-3-10(8-12-2)4-5-11-6-7-13-9-11/h3,5,12H,4,6-9H2,1-2H3/b10-3+,11-5-
InChIKeyFMTWUPJSDBBJBR-JYYVWFIKSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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1-(3,6-dihydro-2H-pyran-4-yl)-N-methylmethanamine
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N-[[2-(ethoxymethyl)cyclopenta-1,4-dien-1-yl]methyl]ethanamine
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1-[2-(methoxymethyl)cyclopenta-1,4-dien-1-yl]-N-methylmethanamine
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4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
3-[(4-methyl-3,6-dihydro-2H-pyran-6-yl)methyl]-2,5-dihydro-1H-pyrrole
CID 167165142
(2Z)-N-(2-methylpropyl)-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 79328800
(2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 79329656
(2E)-N-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 79330064
(2Z)-2-(oxolan-3-ylmethylidene)-N-propylbutan-1-amine
CID 79330094
(2Z)-3-methyl-2-(oxolan-3-ylmethylidene)-N-propylbutan-1-amine
CID 79338715

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine?
The IUPAC name of (E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine (CID 142987860) is (E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine is C/C=C(\C/C=C1/CCOC1)CNC.
What is the InChIKey of (E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine?
The InChIKey is FMTWUPJSDBBJBR-JYYVWFIKSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-10(8-12-2)4-5-11-6-7-13-9-11/h3,5,12H,4,6-9H2,1-2H3/b10-3+,11-5-.
What are the key properties of (E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine?
(E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine is sourced from PubChem (CID 142987860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).