3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine

C15H27F3N2 — CID 147085500

IUPAC3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine
SMILESNCCC1CCC(NCC2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C15H27F3N2/c16-15(17,18)13-3-1-2-12(8-13)10-20-14-5-4-11(9-14)6-7-19/h11-14,20H,1-10,19H2
InChIKeyBHTJHIBTSXJWRB-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.46
Rot. Bonds5

About 3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine

3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine (PubChem CID 147085500) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine
PubChem CID147085500
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine
SMILESNCCC1CCC(NCC2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C15H27F3N2/c16-15(17,18)13-3-1-2-12(8-13)10-20-14-5-4-11(9-14)6-7-19/h11-14,20H,1-10,19H2
InChIKeyBHTJHIBTSXJWRB-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 104844751
1-propyl-3-(trifluoromethyl)cyclohexane
CID 142650129
N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609637
3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine
CID 79461432
3-[3-(trifluoromethyl)cyclohexyl]propyl hypoiodite
CID 166885819
2-[4-(1,1-difluoroethyl)cyclohexyl]ethanamine
CID 84772014
2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
CID 67953222
[4-(cyclopropylmethylamino)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119623679
[(1R,3S)-3-(trifluoromethyl)cyclohexyl]hydrazine
CID 124506889
3-ethyl-2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,2-diamine
CID 64759598
2-cycloheptatriacontylethanamine
CID 70967764
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine?
The IUPAC name of 3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine (CID 147085500) is 3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine?
The canonical SMILES for 3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine is NCCC1CCC(NCC2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine?
The InChIKey is BHTJHIBTSXJWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c16-15(17,18)13-3-1-2-12(8-13)10-20-14-5-4-11(9-14)6-7-19/h11-14,20H,1-10,19H2.
What are the key properties of 3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine?
3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 147085500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).