1-(1-oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C15H26F3NO2 — CID 103148047

IUPAC1-(1-oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H26F3NO2/c16-15(17,18)11-20-8-5-13(19)12-4-9-21-14(10-12)6-2-1-3-7-14/h12-13H,1-11,19H2
InChIKeyZVQNURBQQQIVCU-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.41
Rot. Bonds5

About 1-(1-oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(1-oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148047) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(1-oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(1-oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148047
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC Name1-(1-oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H26F3NO2/c16-15(17,18)11-20-8-5-13(19)12-4-9-21-14(10-12)6-2-1-3-7-14/h12-13H,1-11,19H2
InChIKeyZVQNURBQQQIVCU-UHFFFAOYSA-N
XLogP3.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Oxaspiro(5.5)undecan-4-amine
CID 64106253
1,1-Difluoro-6-oxaspiro[4.5]decan-9-amine hydrochloride
CID 169785543
9,9-Difluoro-1-oxaspiro[5.5]undecan-4-amine hydrochloride
CID 165948659
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
6-[4-(Difluoromethyl)cyclohexyl]oxan-3-amine
CID 70843048
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
4,4-Difluoro-6-oxaspiro[4.5]decan-9-amine
CID 168891874
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
9-(Trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 64756955
N-methyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 64756956
10-(Trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 64758459

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148047) is 1-(1-oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(1-oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(1-oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is NC(CCOCC(F)(F)F)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-(1-oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is ZVQNURBQQQIVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c16-15(17,18)11-20-8-5-13(19)12-4-9-21-14(10-12)6-2-1-3-7-14/h12-13H,1-11,19H2.
What are the key properties of 1-(1-oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(1-oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 309.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).