1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine

C15H21F3N2 — CID 63402832

IUPAC1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCN(c1ccc(N)cc1C(F)(F)F)C1CCCCCC1
InChIInChI=1S/C15H21F3N2/c1-20(12-6-4-2-3-5-7-12)14-9-8-11(19)10-13(14)15(16,17)18/h8-10,12H,2-7,19H2,1H3
InChIKeyGEBWKRUSOKYYRE-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.45
Rot. Bonds2

About 1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine

1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 63402832) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID63402832
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCN(c1ccc(N)cc1C(F)(F)F)C1CCCCCC1
InChIInChI=1S/C15H21F3N2/c1-20(12-6-4-2-3-5-7-12)14-9-8-11(19)10-13(14)15(16,17)18/h8-10,12H,2-7,19H2,1H3
InChIKeyGEBWKRUSOKYYRE-UHFFFAOYSA-N
XLogP4.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine (CID 63402832) is 1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine is CN(c1ccc(N)cc1C(F)(F)F)C1CCCCCC1.
What is the InChIKey of 1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is GEBWKRUSOKYYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-20(12-6-4-2-3-5-7-12)14-9-8-11(19)10-13(14)15(16,17)18/h8-10,12H,2-7,19H2,1H3.
What are the key properties of 1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine?
1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 286.34 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 63402832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).