N-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine

C15H27F3N2 — CID 106603889

IUPACN-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCN(CC1CCCN1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H27F3N2/c1-2-9-20(11-13-6-4-8-19-13)14-7-3-5-12(10-14)15(16,17)18/h12-14,19H,2-11H2,1H3
InChIKeyYFWHBODYCVBZIK-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.57
Rot. Bonds5

About N-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 106603889) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID106603889
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC NameN-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCN(CC1CCCN1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H27F3N2/c1-2-9-20(11-13-6-4-8-19-13)14-7-3-5-12(10-14)15(16,17)18/h12-14,19H,2-11H2,1H3
InChIKeyYFWHBODYCVBZIK-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 107449581
N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604067
4-[propyl(pyrrolidin-2-ylmethyl)amino]azepan-2-one
CID 106615853
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclopentan-1-amine
CID 106604021
N-(2-fluoroethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599783
N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604803
N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 106615927
N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 106615997
N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979302
N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604985
N-(2-cyclopropylethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615993

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 106603889) is N-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine is CCCN(CC1CCCN1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is YFWHBODYCVBZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-2-9-20(11-13-6-4-8-19-13)14-7-3-5-12(10-14)15(16,17)18/h12-14,19H,2-11H2,1H3.
What are the key properties of N-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 106603889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).