[1-(4-methylazepan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine

C15H27F3N2 — CID 64760035

IUPAC[1-(4-methylazepan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC1CCCN(C2(CN)CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H27F3N2/c1-12-4-3-8-20(9-6-12)14(11-19)7-2-5-13(10-14)15(16,17)18/h12-13H,2-11,19H2,1H3
InChIKeyJONYWFFQAZXJAW-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.56
Rot. Bonds2

About [1-(4-methylazepan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine

[1-(4-methylazepan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 64760035) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is [1-(4-methylazepan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-methylazepan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID64760035
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name[1-(4-methylazepan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC1CCCN(C2(CN)CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H27F3N2/c1-12-4-3-8-20(9-6-12)14(11-19)7-2-5-13(10-14)15(16,17)18/h12-13H,2-11,19H2,1H3
InChIKeyJONYWFFQAZXJAW-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylazepan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(4-methylazepan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine (CID 64760035) is [1-(4-methylazepan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4-methylazepan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4-methylazepan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine is CC1CCCN(C2(CN)CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of [1-(4-methylazepan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is JONYWFFQAZXJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-12-4-3-8-20(9-6-12)14(11-19)7-2-5-13(10-14)15(16,17)18/h12-13H,2-11,19H2,1H3.
What are the key properties of [1-(4-methylazepan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
[1-(4-methylazepan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 292.39 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylazepan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 64760035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).