N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine

C15H28F3N3 — CID 64755493

IUPACN-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)C2(CN)CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C15H28F3N3/c1-20-9-3-4-13(10-20)21(2)14(11-19)7-5-12(6-8-14)15(16,17)18/h12-13H,3-11,19H2,1-2H3
InChIKeyJKCSIOIVGCNZMG-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.46
Rot. Bonds3

About N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine

N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 64755493) has the molecular formula C15H28F3N3 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine
PubChem CID64755493
Molecular FormulaC15H28F3N3
Molecular Weight307.40 g/mol
Exact Mass307.22
IUPAC NameN-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)C2(CN)CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C15H28F3N3/c1-20-9-3-4-13(10-20)21(2)14(11-19)7-5-12(6-8-14)15(16,17)18/h12-13H,3-11,19H2,1-2H3
InChIKeyJKCSIOIVGCNZMG-UHFFFAOYSA-N
XLogP2.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine (CID 64755493) is N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)C2(CN)CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is JKCSIOIVGCNZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3/c1-20-9-3-4-13(10-20)21(2)14(11-19)7-5-12(6-8-14)15(16,17)18/h12-13H,3-11,19H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine?
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 307.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 64755493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).