3-(2,2,2-triethoxyethyl)decan-1-amine

C18H39NO3 — CID 150559594

IUPAC3-(2,2,2-triethoxyethyl)decan-1-amine
SMILESCCCCCCCC(CCN)CC(OCC)(OCC)OCC
InChIInChI=1S/C18H39NO3/c1-5-9-10-11-12-13-17(14-15-19)16-18(20-6-2,21-7-3)22-8-4/h17H,5-16,19H2,1-4H3
InChIKeyIJOGGHVNQZBJCJ-UHFFFAOYSA-N
MW317.51 g/mol
LogP4.47
Rot. Bonds16

About 3-(2,2,2-triethoxyethyl)decan-1-amine

3-(2,2,2-triethoxyethyl)decan-1-amine (PubChem CID 150559594) has the molecular formula C18H39NO3 and a molecular weight of 317.51 g/mol. Its IUPAC name is 3-(2,2,2-triethoxyethyl)decan-1-amine.

Molecular Properties

Compound Name3-(2,2,2-triethoxyethyl)decan-1-amine
PubChem CID150559594
Molecular FormulaC18H39NO3
Molecular Weight317.51 g/mol
Exact Mass317.29
IUPAC Name3-(2,2,2-triethoxyethyl)decan-1-amine
SMILESCCCCCCCC(CCN)CC(OCC)(OCC)OCC
InChIInChI=1S/C18H39NO3/c1-5-9-10-11-12-13-17(14-15-19)16-18(20-6-2,21-7-3)22-8-4/h17H,5-16,19H2,1-4H3
InChIKeyIJOGGHVNQZBJCJ-UHFFFAOYSA-N
XLogP4.47
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-octadecyldocosan-1-amine
CID 175605892
(3R)-3-ethylnonan-1-amine
CID 163925868
5-hexyldodecan-1-amine
CID 129015386
4-hexylundecan-1-amine
CID 167174040
4-heptylundecan-1-amine
CID 146490531
7-(triethoxymethyl)pentadecan-1-amine
CID 150888831
(2S)-2-hexyldecan-1-amine
CID 129368307
2-dodecylhexadecan-1-amine
CID 23048605
2-hexyloctadecan-1-amine
CID 87546751
1,1,1-triethoxy-3-prop-1-enoxydecane
CID 150810677
1-amino-10,10,10-triethoxydecane-3-thiol
CID 151796359
20,26-di(heptadecyl)pentatetracontane
CID 102213068

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-triethoxyethyl)decan-1-amine?
The IUPAC name of 3-(2,2,2-triethoxyethyl)decan-1-amine (CID 150559594) is 3-(2,2,2-triethoxyethyl)decan-1-amine.
What is the SMILES notation for 3-(2,2,2-triethoxyethyl)decan-1-amine?
The canonical SMILES for 3-(2,2,2-triethoxyethyl)decan-1-amine is CCCCCCCC(CCN)CC(OCC)(OCC)OCC.
What is the InChIKey of 3-(2,2,2-triethoxyethyl)decan-1-amine?
The InChIKey is IJOGGHVNQZBJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO3/c1-5-9-10-11-12-13-17(14-15-19)16-18(20-6-2,21-7-3)22-8-4/h17H,5-16,19H2,1-4H3.
What are the key properties of 3-(2,2,2-triethoxyethyl)decan-1-amine?
3-(2,2,2-triethoxyethyl)decan-1-amine has a molecular weight of 317.51 g/mol, XLogP of 4.47, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-triethoxyethyl)decan-1-amine is sourced from PubChem (CID 150559594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).