4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine

C12H22F3NO — CID 65079893

IUPAC4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
SMILESCC1CCCC(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-10-3-2-4-11(6-5-10)16-7-8-17-9-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyMOVSCYLZHDJJMB-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds5

About 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine

4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine (PubChem CID 65079893) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
PubChem CID65079893
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
SMILESCC1CCCC(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-10-3-2-4-11(6-5-10)16-7-8-17-9-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyMOVSCYLZHDJJMB-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine hydrochloride
CID 137838564
2-[(4-Fluoro-5-methylcycloheptyl)amino]ethanol
CID 166655112
2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 54961752
N-[(4-ethylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 54961803
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962010
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962115
6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine
CID 54962390
4-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 55032057
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine
CID 55092962
3,3,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60732879

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine?
The IUPAC name of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine (CID 65079893) is 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine?
The canonical SMILES for 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine is CC1CCCC(NCCOCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine?
The InChIKey is MOVSCYLZHDJJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10-3-2-4-11(6-5-10)16-7-8-17-9-12(13,14)15/h10-11,16H,2-9H2,1H3.
What are the key properties of 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine?
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine is sourced from PubChem (CID 65079893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).