4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine

C22H45NO2 — CID 153365543

IUPAC4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine
SMILESCCCCCCCCCCCCOC1CCC(CCCCN(C)C)O1
InChIInChI=1S/C22H45NO2/c1-4-5-6-7-8-9-10-11-12-15-20-24-22-18-17-21(25-22)16-13-14-19-23(2)3/h21-22H,4-20H2,1-3H3
InChIKeyFUWCXJVDRXILOB-UHFFFAOYSA-N
MW355.61 g/mol
LogP6.16
Rot. Bonds17

About 4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine

4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine (PubChem CID 153365543) has the molecular formula C22H45NO2 and a molecular weight of 355.61 g/mol. Its IUPAC name is 4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine
PubChem CID153365543
Molecular FormulaC22H45NO2
Molecular Weight355.61 g/mol
Exact Mass355.35
IUPAC Name4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine
SMILESCCCCCCCCCCCCOC1CCC(CCCCN(C)C)O1
InChIInChI=1S/C22H45NO2/c1-4-5-6-7-8-9-10-11-12-15-20-24-22-18-17-21(25-22)16-13-14-19-23(2)3/h21-22H,4-20H2,1-3H3
InChIKeyFUWCXJVDRXILOB-UHFFFAOYSA-N
XLogP6.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,5R)-5-(9-octoxynonoxy)oxolan-2-yl]methyl 3-(dimethylamino)propanoate
CID 165379758
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
[5-[3-(dimethylamino)propoxy]oxolan-2-yl]methyl 2-hexyldecanoate;bis(2-hexyldecanoic acid)
CID 177166555
2-[6-(5-hexyloxolan-2-yl)oxyhexyl]-1,3-thiazole;hydrochloride
CID 173396802
2-nona-3,6-dienoxy-5-pentyloxolane
CID 86006444
1-[6-(5-hexyloxolan-2-yl)oxyhexyl]-4-phenylpyridin-1-ium
CID 19835756
(2S)-2-methyl-6-tetradecoxyoxan-3-ol
CID 144591243
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
2-decoxy-6-methyloxane
CID 160930984
2-methyl-5-octadecyloxolane
CID 167511066
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994

Frequently Asked Questions

What is the IUPAC name of 4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine (CID 153365543) is 4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine is CCCCCCCCCCCCOC1CCC(CCCCN(C)C)O1.
What is the InChIKey of 4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine?
The InChIKey is FUWCXJVDRXILOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO2/c1-4-5-6-7-8-9-10-11-12-15-20-24-22-18-17-21(25-22)16-13-14-19-23(2)3/h21-22H,4-20H2,1-3H3.
What are the key properties of 4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine?
4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine has a molecular weight of 355.61 g/mol, XLogP of 6.16, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-dodecoxyoxolan-2-yl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 153365543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).