1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine

C12H22F3NO — CID 103168854

IUPAC1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCCOC1CC(CC(CCC(F)(F)F)NC)C1
InChIInChI=1S/C12H22F3NO/c1-3-17-11-7-9(8-11)6-10(16-2)4-5-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyKLHJBXPXKUOQOB-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds7

About 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine

1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine (PubChem CID 103168854) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine
PubChem CID103168854
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCCOC1CC(CC(CCC(F)(F)F)NC)C1
InChIInChI=1S/C12H22F3NO/c1-3-17-11-7-9(8-11)6-10(16-2)4-5-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyKLHJBXPXKUOQOB-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine
CID 155346504
cis-(1R,3S)-5-(1-ethoxyethyl)-3-(trifluoromethyl)cycloheptan-1-amine
CID 166684416
N,2,2-trimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961720
N-ethyl-2-methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961770
2-methyl-N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961771
3-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 54961772
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961820
N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961821
N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961822
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961873
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083200
4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55083489

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine (CID 103168854) is 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine is CCOC1CC(CC(CCC(F)(F)F)NC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine?
The InChIKey is KLHJBXPXKUOQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-17-11-7-9(8-11)6-10(16-2)4-5-12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine?
1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-5,5,5-trifluoro-N-methylpentan-2-amine is sourced from PubChem (CID 103168854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).