2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine

C20H43NO2 — CID 150210184

IUPAC2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine
SMILESCCCCCCCCC(CN(CC)CC)C(C)(OCC)OCC
InChIInChI=1S/C20H43NO2/c1-7-12-13-14-15-16-17-19(18-21(8-2)9-3)20(6,22-10-4)23-11-5/h19H,7-18H2,1-6H3
InChIKeyFRHXWVXTVZDDSI-UHFFFAOYSA-N
MW329.57 g/mol
LogP5.48
Rot. Bonds16

About 2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine

2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine (PubChem CID 150210184) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is 2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine.

Molecular Properties

Compound Name2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine
PubChem CID150210184
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Name2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine
SMILESCCCCCCCCC(CN(CC)CC)C(C)(OCC)OCC
InChIInChI=1S/C20H43NO2/c1-7-12-13-14-15-16-17-19(18-21(8-2)9-3)20(6,22-10-4)23-11-5/h19H,7-18H2,1-6H3
InChIKeyFRHXWVXTVZDDSI-UHFFFAOYSA-N
XLogP5.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 55.48
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'}

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Related Compounds

1-[6-(1,1-diethoxyethyl)tetradecyl]-2,3,4,5,6-pentafluorobenzene
CID 151908395
2,2-diethoxy-3-(2-methoxyethyl)undecane;prop-1-ene
CID 157221541
2-[5-(1,1-diethoxyethyl)tridecyl]oxirane
CID 151153134
N'-[2-(1,1-diethoxyethyl)decyl]hexane-1,6-diamine
CID 150619896
3-[4-(1,1-diethoxyethyl)dodecyl]-3-methyloxetane
CID 150046806
4-[4-(1,1-diethoxyethyl)dodecyl]morpholine
CID 150051536
9-tert-butylhenicosane
CID 150708915
(4R)-1-chloro-4-(triethoxymethyl)dodecane
CID 150029732
4,4-diethoxy-5-propyltridecane
CID 152734568
1-[4-(1,1-diethoxyethyl)dodecyl]-4-(trifluoromethyl)benzene
CID 150416449
(4R)-N-ethyl-4-(triethoxymethyl)dodecan-1-amine
CID 150711202
5,5-diethoxy-6-ethyltetradecane
CID 150494826

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine?
The IUPAC name of 2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine (CID 150210184) is 2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine.
What is the SMILES notation for 2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine?
The canonical SMILES for 2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine is CCCCCCCCC(CN(CC)CC)C(C)(OCC)OCC.
What is the InChIKey of 2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine?
The InChIKey is FRHXWVXTVZDDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO2/c1-7-12-13-14-15-16-17-19(18-21(8-2)9-3)20(6,22-10-4)23-11-5/h19H,7-18H2,1-6H3.
What are the key properties of 2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine?
2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine has a molecular weight of 329.57 g/mol, XLogP of 5.48, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-diethoxyethyl)-N,N-diethyldecan-1-amine is sourced from PubChem (CID 150210184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).