(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine

C12H25NO — CID 144711891

IUPAC(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine
SMILESCCC/C(=C\CN(CC)CC)COC
InChIInChI=1S/C12H25NO/c1-5-8-12(11-14-4)9-10-13(6-2)7-3/h9H,5-8,10-11H2,1-4H3/b12-9+
InChIKeyVLRBWGBRCVCDES-FMIVXFBMSA-N
MW199.34 g/mol
LogP2.70
Rot. Bonds8

About (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine

(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine (PubChem CID 144711891) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine
PubChem CID144711891
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine
SMILESCCC/C(=C\CN(CC)CC)COC
InChIInChI=1S/C12H25NO/c1-5-8-12(11-14-4)9-10-13(6-2)7-3/h9H,5-8,10-11H2,1-4H3/b12-9+
InChIKeyVLRBWGBRCVCDES-FMIVXFBMSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-Allyl-2,5-dihydrofuran-2-yl)diethylamine
CID 129793090
(4-Allyl-2,5-dihydrofuran-2-yl)dipropylamine
CID 129793601
N,N-dibutyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine
CID 154710504
4-(2-methylprop-2-enyl)-N,N-dipropyl-2,5-dihydrofuran-2-amine
CID 154716956
N,N-diethyl-4-(2-methylprop-2-enyl)-2,5-dihydrofuran-2-amine
CID 154717594
1-Ethyl-4-methoxymethyl-1,2,3,6-tetrahydropyridine
CID 14442214
4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium
CID 14442230
N-(4-methoxybut-2-enyl)-N-methylpent-2-en-1-amine
CID 59941291
N-[cyclohexen-1-yl(methoxy)methyl]-N-ethylethanamine
CID 123429243
6-methoxy-1,5-dimethyl-3,6-dihydro-2H-pyridine
CID 140361540
(7E,12Z)-9-methoxy-5,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515537
(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane
CID 144711890

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine?
The IUPAC name of (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine (CID 144711891) is (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine.
What is the SMILES notation for (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine?
The canonical SMILES for (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine is CCC/C(=C\CN(CC)CC)COC.
What is the InChIKey of (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine?
The InChIKey is VLRBWGBRCVCDES-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-8-12(11-14-4)9-10-13(6-2)7-3/h9H,5-8,10-11H2,1-4H3/b12-9+.
What are the key properties of (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine?
(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine is sourced from PubChem (CID 144711891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).