1,1-diethoxy-N,N-diethyldodec-2-en-4-amine

C20H41NO2 — CID 150556041

IUPAC1,1-diethoxy-N,N-diethyldodec-2-en-4-amine
SMILESCCCCCCCCC(C=CC(OCC)OCC)N(CC)CC
InChIInChI=1S/C20H41NO2/c1-6-11-12-13-14-15-16-19(21(7-2)8-3)17-18-20(22-9-4)23-10-5/h17-20H,6-16H2,1-5H3
InChIKeyIIWBHVDXJXHZAF-UHFFFAOYSA-N
MW327.55 g/mol
LogP5.40
Rot. Bonds16

About 1,1-diethoxy-N,N-diethyldodec-2-en-4-amine

1,1-diethoxy-N,N-diethyldodec-2-en-4-amine (PubChem CID 150556041) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is 1,1-diethoxy-N,N-diethyldodec-2-en-4-amine.

Molecular Properties

Compound Name1,1-diethoxy-N,N-diethyldodec-2-en-4-amine
PubChem CID150556041
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Name1,1-diethoxy-N,N-diethyldodec-2-en-4-amine
SMILESCCCCCCCCC(C=CC(OCC)OCC)N(CC)CC
InChIInChI=1S/C20H41NO2/c1-6-11-12-13-14-15-16-19(21(7-2)8-3)17-18-20(22-9-4)23-10-5/h17-20H,6-16H2,1-5H3
InChIKeyIIWBHVDXJXHZAF-UHFFFAOYSA-N
XLogP5.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxynon-2-en-4-ol
CID 57319218
(E)-1,1-diethoxydec-2-ene
CID 6437222
1,1-diethoxyundec-2-ene
CID 3018094
9-ethoxyoctadecane
CID 87148376
tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane
CID 14592139
2-ethoxytridecane
CID 54143367
N,N-diethyltridecan-4-amine
CID 159822270
1-ethoxy-1-(1-ethoxy-8,8-dihexoxyoct-2-enoxy)-8,8-dihexoxyoct-2-ene
CID 162350665
4-ethoxydodecan-5-ol
CID 116711346
3-ethoxy-2-methyldodecane
CID 78302637
N-ethyl-N-propylicosan-2-amine
CID 172693354
3-ethoxy-2,2-dimethyldecan-4-ol
CID 116713288

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-N,N-diethyldodec-2-en-4-amine?
The IUPAC name of 1,1-diethoxy-N,N-diethyldodec-2-en-4-amine (CID 150556041) is 1,1-diethoxy-N,N-diethyldodec-2-en-4-amine.
What is the SMILES notation for 1,1-diethoxy-N,N-diethyldodec-2-en-4-amine?
The canonical SMILES for 1,1-diethoxy-N,N-diethyldodec-2-en-4-amine is CCCCCCCCC(C=CC(OCC)OCC)N(CC)CC.
What is the InChIKey of 1,1-diethoxy-N,N-diethyldodec-2-en-4-amine?
The InChIKey is IIWBHVDXJXHZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-6-11-12-13-14-15-16-19(21(7-2)8-3)17-18-20(22-9-4)23-10-5/h17-20H,6-16H2,1-5H3.
What are the key properties of 1,1-diethoxy-N,N-diethyldodec-2-en-4-amine?
1,1-diethoxy-N,N-diethyldodec-2-en-4-amine has a molecular weight of 327.55 g/mol, XLogP of 5.40, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-N,N-diethyldodec-2-en-4-amine is sourced from PubChem (CID 150556041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).