(E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine

C12H23NO2 — CID 167048594

IUPAC(E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine
SMILESC=COCCCCO/C=C/CCN(C)C
InChIInChI=1S/C12H23NO2/c1-4-14-10-7-8-12-15-11-6-5-9-13(2)3/h4,6,11H,1,5,7-10,12H2,2-3H3/b11-6+
InChIKeyLCZRHNMLJXRJTM-IZZDOVSWSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds10

About (E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine

(E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine (PubChem CID 167048594) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine
PubChem CID167048594
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine
SMILESC=COCCCCO/C=C/CCN(C)C
InChIInChI=1S/C12H23NO2/c1-4-14-10-7-8-12-15-11-6-5-9-13(2)3/h4,6,11H,1,5,7-10,12H2,2-3H3/b11-6+
InChIKeyLCZRHNMLJXRJTM-IZZDOVSWSA-N
XLogP2.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,9-bis(ethenoxy)nonane
CID 21044784
1,16-bis(ethenoxy)hexadecane
CID 19877850
1,4-bis(ethenoxy)butane;butane
CID 158192522
1-ethenoxytriacontane
CID 14647805
5-ethenoxy-N,N-dipentylpentan-1-amine
CID 139652992
1,4-bis[(E)-but-1-enoxy]butane
CID 22051874
1-ethenoxy-3-methoxypropane
CID 22058891
3-ethenoxypropyl(trimethyl)silane
CID 23363376
6-ethenoxy-N,N-dimethylhexanamide
CID 138746197
1-ethenoxybutane;hydrate
CID 174447139
N,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine
CID 90709463
1-butoxynonadec-1-ene
CID 173032007

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine?
The IUPAC name of (E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine (CID 167048594) is (E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine.
What is the SMILES notation for (E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine?
The canonical SMILES for (E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine is C=COCCCCO/C=C/CCN(C)C.
What is the InChIKey of (E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine?
The InChIKey is LCZRHNMLJXRJTM-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-14-10-7-8-12-15-11-6-5-9-13(2)3/h4,6,11H,1,5,7-10,12H2,2-3H3/b11-6+.
What are the key properties of (E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine?
(E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.41, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-ethenoxybutoxy)-N,N-dimethylbut-3-en-1-amine is sourced from PubChem (CID 167048594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).