1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine

C15H27F3N2 — CID 64760032

IUPAC1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)CN(C1CC1)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H27F3N2/c1-11(2)9-20(13-5-6-13)14(10-19)7-3-4-12(8-14)15(16,17)18/h11-13H,3-10,19H2,1-2H3
InChIKeyDXWJKTDYBBSYTC-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.56
Rot. Bonds5

About 1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64760032) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64760032
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)CN(C1CC1)C1(CN)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H27F3N2/c1-11(2)9-20(13-5-6-13)14(10-19)7-3-4-12(8-14)15(16,17)18/h11-13H,3-10,19H2,1-2H3
InChIKeyDXWJKTDYBBSYTC-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64760032) is 1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine is CC(C)CN(C1CC1)C1(CN)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is DXWJKTDYBBSYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-11(2)9-20(13-5-6-13)14(10-19)7-3-4-12(8-14)15(16,17)18/h11-13H,3-10,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64760032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).