N-[(1-methoxycyclobutyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C13H22F3NO — CID 113460022

IUPACN-[(1-methoxycyclobutyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1(CNC2CCC(C(F)(F)F)CC2)CCC1
InChIInChI=1S/C13H22F3NO/c1-18-12(7-2-8-12)9-17-11-5-3-10(4-6-11)13(14,15)16/h10-11,17H,2-9H2,1H3
InChIKeyHTEQAYUOOZCGOU-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.27
Rot. Bonds4

About N-[(1-methoxycyclobutyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[(1-methoxycyclobutyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 113460022) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID113460022
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOC1(CNC2CCC(C(F)(F)F)CC2)CCC1
InChIInChI=1S/C13H22F3NO/c1-18-12(7-2-8-12)9-17-11-5-3-10(4-6-11)13(14,15)16/h10-11,17H,2-9H2,1H3
InChIKeyHTEQAYUOOZCGOU-UHFFFAOYSA-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

1-[4-[3-ethoxy-3-(trifluoromethyl)azetidin-1-yl]cyclohexyl]-N-methylmethanamine
CID 132101719
N-(4-methylcyclohexyl)-3-(trifluoromethyl)oxetan-3-amine
CID 169614710
3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine
CID 170061681
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
4-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 55032057
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 55036775
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733031
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

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 113460022) is N-[(1-methoxycyclobutyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is COC1(CNC2CCC(C(F)(F)F)CC2)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is HTEQAYUOOZCGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-18-12(7-2-8-12)9-17-11-5-3-10(4-6-11)13(14,15)16/h10-11,17H,2-9H2,1H3.
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(1-methoxycyclobutyl)methyl]-4-(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 N-[(1-methoxycyclobutyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 113460022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).