trans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C13H22F3NO — CID 124573196

IUPACtrans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1(CN[C@H]2CCC[C@H](C(F)(F)F)C2)CCC1
InChIInChI=1S/C13H22F3NO/c1-18-12(6-3-7-12)9-17-11-5-2-4-10(8-11)13(14,15)16/h10-11,17H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyRICFMOGIINFQES-QWRGUYRKSA-N
MW265.32 g/mol
LogP3.27
Rot. Bonds4

About trans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

trans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 124573196) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is trans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID124573196
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Nametrans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1(CN[C@H]2CCC[C@H](C(F)(F)F)C2)CCC1
InChIInChI=1S/C13H22F3NO/c1-18-12(6-3-7-12)9-17-11-5-2-4-10(8-11)13(14,15)16/h10-11,17H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyRICFMOGIINFQES-QWRGUYRKSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylcyclohexyl)-3-(trifluoromethyl)oxetan-3-amine
CID 169614710
N-(4-methoxy-4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730350
N-(4-methoxy-4-methylpentan-2-yl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730622
N-(4-methoxy-4-methylpentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747368
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 55036775
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733194
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733195
N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 60766186
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61492202
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62110413
1-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62405913
1-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 62407711

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of trans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 124573196) is trans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is COC1(CN[C@H]2CCC[C@H](C(F)(F)F)C2)CCC1.
What is the InChIKey of trans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is RICFMOGIINFQES-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-18-12(6-3-7-12)9-17-11-5-2-4-10(8-11)13(14,15)16/h10-11,17H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of trans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
trans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-N-[(1-methoxycyclobutyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 124573196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).