N-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine

C14H23F3N4 — CID 105182242

IUPACN-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCCn1nncc1C(NC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H23F3N4/c1-3-7-21-12(9-19-20-21)13(18-2)10-5-4-6-11(8-10)14(15,16)17/h9-11,13,18H,3-8H2,1-2H3
InChIKeyBAASARZGXZQBJF-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.32
Rot. Bonds5

About N-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine

N-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105182242) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105182242
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC NameN-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCCn1nncc1C(NC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H23F3N4/c1-3-7-21-12(9-19-20-21)13(18-2)10-5-4-6-11(8-10)14(15,16)17/h9-11,13,18H,3-8H2,1-2H3
InChIKeyBAASARZGXZQBJF-UHFFFAOYSA-N
XLogP3.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine (CID 105182242) is N-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine is CCCn1nncc1C(NC)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is BAASARZGXZQBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-3-7-21-12(9-19-20-21)13(18-2)10-5-4-6-11(8-10)14(15,16)17/h9-11,13,18H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
N-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 304.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105182242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).