N-propyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine

C14H24F3NO — CID 64757155

IUPACN-propyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCCCNC1CCOC2(CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H24F3NO/c1-2-8-18-12-5-9-19-13(10-12)6-3-11(4-7-13)14(15,16)17/h11-12,18H,2-10H2,1H3
InChIKeyCMPQQHVXSQFYAR-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.66
Rot. Bonds3

About N-propyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine

N-propyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 64757155) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-propyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-propyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID64757155
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-propyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCCCNC1CCOC2(CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H24F3NO/c1-2-8-18-12-5-9-19-13(10-12)6-3-11(4-7-13)14(15,16)17/h11-12,18H,2-10H2,1H3
InChIKeyCMPQQHVXSQFYAR-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-propyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine (CID 64757155) is N-propyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-propyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-propyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine is CCCNC1CCOC2(CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of N-propyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is CMPQQHVXSQFYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-2-8-18-12-5-9-19-13(10-12)6-3-11(4-7-13)14(15,16)17/h11-12,18H,2-10H2,1H3.
What are the key properties of N-propyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine?
N-propyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 279.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 64757155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).