N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine

C12H21F3N2 — CID 113281847

IUPACN-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
SMILESCNC1CCN(C2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C12H21F3N2/c1-16-10-6-7-17(8-10)11-4-2-9(3-5-11)12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyKNKTVYRRTPHGJD-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.40
Rot. Bonds2

About N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine

N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine (PubChem CID 113281847) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
PubChem CID113281847
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
SMILESCNC1CCN(C2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C12H21F3N2/c1-16-10-6-7-17(8-10)11-4-2-9(3-5-11)12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyKNKTVYRRTPHGJD-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-N-methylpyrrolidin-3-amine
CID 43315596
ethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine
CID 170747754
1-cyclopropyl-N-methylpiperidin-4-amine;ethane
CID 142484063
1-[1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]ethanamine
CID 64754901
N-methyl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine
CID 79619057
1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine
CID 115300022
1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
CID 43315217
1-cyclopropyl-N-methoxypyrrolidin-3-amine
CID 82706402
1-cyclooctyl-N-methylpiperidin-3-amine
CID 62536163
[1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]methanamine
CID 64753900
N-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-amine
CID 114763404
N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79260589

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine (CID 113281847) is N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine is CNC1CCN(C2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine?
The InChIKey is KNKTVYRRTPHGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-16-10-6-7-17(8-10)11-4-2-9(3-5-11)12(13,14)15/h9-11,16H,2-8H2,1H3.
What are the key properties of N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine?
N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine has a molecular weight of 250.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine is sourced from PubChem (CID 113281847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).