(Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine

C12H23NO — CID 126607431

IUPAC(Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine
SMILESC/C=C\CN(C)/C=C/COCCCC
InChIInChI=1S/C12H23NO/c1-4-6-9-13(3)10-8-12-14-11-7-5-2/h4,6,8,10H,5,7,9,11-12H2,1-3H3/b6-4-,10-8+
InChIKeyJYBJCEWGFWVSPA-YUFRWXHNSA-N
MW197.32 g/mol
LogP2.82
Rot. Bonds8

About (Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine

(Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine (PubChem CID 126607431) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine
PubChem CID126607431
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine
SMILESC/C=C\CN(C)/C=C/COCCCC
InChIInChI=1S/C12H23NO/c1-4-6-9-13(3)10-8-12-14-11-7-5-2/h4,6,8,10H,5,7,9,11-12H2,1-3H3/b6-4-,10-8+
InChIKeyJYBJCEWGFWVSPA-YUFRWXHNSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-but-2-enoxybutane
CID 543904
1-[(E)-but-2-enoxy]hexadecane
CID 88726636
1-but-2-enoxyoctadecane
CID 123608986
1,6-bis(but-2-enoxy)hexane
CID 173425920
(Z)-1-butoxy-4-chlorobut-2-ene
CID 14686667
1-[(2E,4E)-hexa-2,4-dienoxy]octane
CID 122683183
5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine
CID 142831052
(E)-4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]but-2-ene-1-thiol
CID 104568095
N-methyl-N-oct-1-enylnon-2-en-1-amine
CID 175378842
3-butoxy-N-ethylprop-1-en-1-amine
CID 150350485
4-but-2-enoxy-N-methylbutan-1-amine
CID 76943501
4-(2-butoxyethoxy)but-2-en-1-amine
CID 77110139

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine?
The IUPAC name of (Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine (CID 126607431) is (Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine.
What is the SMILES notation for (Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine?
The canonical SMILES for (Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine is C/C=C\CN(C)/C=C/COCCCC.
What is the InChIKey of (Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine?
The InChIKey is JYBJCEWGFWVSPA-YUFRWXHNSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-6-9-13(3)10-8-12-14-11-7-5-2/h4,6,8,10H,5,7,9,11-12H2,1-3H3/b6-4-,10-8+.
What are the key properties of (Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine?
(Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine is sourced from PubChem (CID 126607431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).