N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine

C14H22F3NO — CID 106212497

IUPACN-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)13(8-9-13)18-10-11-4-7-12(19-11)5-2-1-3-6-12/h11,18H,1-10H2
InChIKeyPCRJOMIRADGZHM-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.55
Rot. Bonds3

About N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106212497) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106212497
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC NameN-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C14H22F3NO/c15-14(16,17)13(8-9-13)18-10-11-4-7-12(19-11)5-2-1-3-6-12/h11,18H,1-10H2
InChIKeyPCRJOMIRADGZHM-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62110414
N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753822
N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64757254
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758790
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine
CID 66274864
2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine
CID 66277668
4,4,4-trifluoro-N-methyl-1-(2-methyloxolan-2-yl)butan-1-amine
CID 80174783
N-ethyl-4,4,4-trifluoro-1-(2-methyloxolan-2-yl)butan-1-amine
CID 80174801
4,4,4-trifluoro-1-(2-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 80175005
N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 81931195
1-(4,4-difluorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
CID 81931213
N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 82005995

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 106212497) is N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine is FC(F)(F)C1(NCC2CCC3(CCCCC3)O2)CC1.
What is the InChIKey of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is PCRJOMIRADGZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO/c15-14(16,17)13(8-9-13)18-10-11-4-7-12(19-11)5-2-1-3-6-12/h11,18H,1-10H2.
What are the key properties of N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 277.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106212497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).