N-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine

C15H28F3N3 — CID 83011418

IUPACN-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NC1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H28F3N3/c1-11-5-3-6-12(2)21(11)20-14(10-19)8-4-7-13(9-14)15(16,17)18/h11-13,20H,3-10,19H2,1-2H3
InChIKeyGGZIUOWDNYYAGV-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.20
Rot. Bonds3

About N-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine

N-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine (PubChem CID 83011418) has the molecular formula C15H28F3N3 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine
PubChem CID83011418
Molecular FormulaC15H28F3N3
Molecular Weight307.40 g/mol
Exact Mass307.22
IUPAC NameN-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine
SMILESCC1CCCC(C)N1NC1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H28F3N3/c1-11-5-3-6-12(2)21(11)20-14(10-19)8-4-7-13(9-14)15(16,17)18/h11-13,20H,3-10,19H2,1-2H3
InChIKeyGGZIUOWDNYYAGV-UHFFFAOYSA-N
XLogP3.20
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine?
The IUPAC name of N-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine (CID 83011418) is N-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine.
What is the SMILES notation for N-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine?
The canonical SMILES for N-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine is CC1CCCC(C)N1NC1(CN)CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine?
The InChIKey is GGZIUOWDNYYAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3/c1-11-5-3-6-12(2)21(11)20-14(10-19)8-4-7-13(9-14)15(16,17)18/h11-13,20H,3-10,19H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine?
N-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine has a molecular weight of 307.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine is sourced from PubChem (CID 83011418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).