4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine

C14H25F3N2 — CID 54927165

IUPAC4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
SMILESCC1CCC(NCC2CCN(CC(F)(F)F)C2)CC1
InChIInChI=1S/C14H25F3N2/c1-11-2-4-13(5-3-11)18-8-12-6-7-19(9-12)10-14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyUVYQTVTWGHSHDE-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.04
Rot. Bonds4

About 4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine

4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine (PubChem CID 54927165) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
PubChem CID54927165
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
SMILESCC1CCC(NCC2CCN(CC(F)(F)F)C2)CC1
InChIInChI=1S/C14H25F3N2/c1-11-2-4-13(5-3-11)18-8-12-6-7-19(9-12)10-14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyUVYQTVTWGHSHDE-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,3-Pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
CID 20763650
3,3,3-Trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
CID 20763674
N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 21034320
4-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 24705824
4-ethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 28370940
4-propyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 29285869
N-(2-methylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434609
N-ethyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 43435858
4-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 60690459
N-(2,2-difluoroethyl)-4-methylcyclohexan-1-amine
CID 60922154
4-[(2,2,2-Trifluoroethylamino)methyl]cyclohexan-1-amine
CID 61151163
N-(2,2-difluoroethyl)-4-ethylcyclohexan-1-amine
CID 61469820

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine (CID 54927165) is 4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine is CC1CCC(NCC2CCN(CC(F)(F)F)C2)CC1.
What is the InChIKey of 4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
The InChIKey is UVYQTVTWGHSHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-11-2-4-13(5-3-11)18-8-12-6-7-19(9-12)10-14(15,16)17/h11-13,18H,2-10H2,1H3.
What are the key properties of 4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 54927165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).