N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine

C11H19F3N2 — CID 79731027

IUPACN-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
SMILESFC(F)(F)C1CCCC(NC2CCNC2)C1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)8-2-1-3-9(6-8)16-10-4-5-15-7-10/h8-10,15-16H,1-7H2
InChIKeySJVXEZYSOZHYDR-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.06
Rot. Bonds2

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

N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine (PubChem CID 79731027) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
PubChem CID79731027
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
SMILESFC(F)(F)C1CCCC(NC2CCNC2)C1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)8-2-1-3-9(6-8)16-10-4-5-15-7-10/h8-10,15-16H,1-7H2
InChIKeySJVXEZYSOZHYDR-UHFFFAOYSA-N
XLogP2.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119701141
3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 64746000
N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43434428
N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119426864
(3R)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-3-carboxamide
CID 81124272
[(1R,3S)-3-(trifluoromethyl)cyclohexyl]hydrazine
CID 124506889
1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64757172
3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119701111
N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747481
N-cyclopentylazepan-3-amine
CID 82934004
2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]acetamide
CID 64759422

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine (CID 79731027) is N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine is FC(F)(F)C1CCCC(NC2CCNC2)C1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine?
The InChIKey is SJVXEZYSOZHYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)8-2-1-3-9(6-8)16-10-4-5-15-7-10/h8-10,15-16H,1-7H2.
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine?
N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine has a molecular weight of 236.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine is sourced from PubChem (CID 79731027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).