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

C17H39NO — CID 144711890

IUPAC(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane
SMILESCC.CCC.CCC/C(=C\CN(CC)CC)COC
InChIInChI=1S/C12H25NO.C3H8.C2H6/c1-5-8-12(11-14-4)9-10-13(6-2)7-3;1-3-2;1-2/h9H,5-8,10-11H2,1-4H3;3H2,1-2H3;1-2H3/b12-9+;;
InChIKeyPHFVSLDSEUNEMB-ANOGCNOSSA-N
MW273.50 g/mol
LogP5.14
Rot. Bonds8

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

(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane (PubChem CID 144711890) has the molecular formula C17H39NO and a molecular weight of 273.50 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane
PubChem CID144711890
Molecular FormulaC17H39NO
Molecular Weight273.50 g/mol
Exact Mass273.30
IUPAC Name(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane
SMILESCC.CCC.CCC/C(=C\CN(CC)CC)COC
InChIInChI=1S/C12H25NO.C3H8.C2H6/c1-5-8-12(11-14-4)9-10-13(6-2)7-3;1-3-2;1-2/h9H,5-8,10-11H2,1-4H3;3H2,1-2H3;1-2H3/b12-9+;;
InChIKeyPHFVSLDSEUNEMB-ANOGCNOSSA-N
XLogP5.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.50
LogP ≤ 55.14
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

(4E,8E)-10-(hexyloxy)-N,N,4,8-tetramethyldeca-4,8-dien-1-amine
CID 44440595
(4E,8E)-10-hexoxy-N,N,4,8-tetramethyl-deca-4,8-dien-1-amine
CID 16729186
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
(2Z)-N-(cyclopropylmethyl)-N-(1-methoxy-3-methylbut-2-enyl)-3,7-dimethylocta-2,6-dien-1-amine
CID 122692218
(3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine
CID 155402658
(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine
CID 144711891

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane?
The IUPAC name of (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane (CID 144711890) is (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane.
What is the SMILES notation for (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane?
The canonical SMILES for (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane is CC.CCC.CCC/C(=C\CN(CC)CC)COC.
What is the InChIKey of (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane?
The InChIKey is PHFVSLDSEUNEMB-ANOGCNOSSA-N. The full InChI is InChI=1S/C12H25NO.C3H8.C2H6/c1-5-8-12(11-14-4)9-10-13(6-2)7-3;1-3-2;1-2/h9H,5-8,10-11H2,1-4H3;3H2,1-2H3;1-2H3/b12-9+;;.
What are the key properties of (E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane?
(E)-N,N-diethyl-3-(methoxymethyl)hex-2-en-1-amine;ethane;propane has a molecular weight of 273.50 g/mol, XLogP of 5.14, 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;ethane;propane is sourced from PubChem (CID 144711890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).