N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

C13H22F3NO — CID 113460016

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESC=C(C)COCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-10(2)9-18-8-7-17-12-5-3-11(4-6-12)13(14,15)16/h11-12,17H,1,3-9H2,2H3
InChIKeyPFIAFNGWTWECHK-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.29
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 113460016) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID113460016
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESC=C(C)COCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c1-10(2)9-18-8-7-17-12-5-3-11(4-6-12)13(14,15)16/h11-12,17H,1,3-9H2,2H3
InChIKeyPFIAFNGWTWECHK-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 55032057
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733031
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-methoxypropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 62534895
N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753627
N-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753670
N-(2-butoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755677
N-(1-ethoxypropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755880
4-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
CID 65805804
N-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine
CID 82009313
4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine
CID 82792212

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 113460016) is N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is C=C(C)COCCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is PFIAFNGWTWECHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-10(2)9-18-8-7-17-12-5-3-11(4-6-12)13(14,15)16/h11-12,17H,1,3-9H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 113460016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).