2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

C12H23F3N2 — CID 55011446

IUPAC2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC(C)N(CC(F)(F)F)C1CCCCC1CN
InChIInChI=1S/C12H23F3N2/c1-9(2)17(8-12(13,14)15)11-6-4-3-5-10(11)7-16/h9-11H,3-8,16H2,1-2H3
InChIKeyPQZKRVMAFQWOEX-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.78
Rot. Bonds4

About 2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (PubChem CID 55011446) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
PubChem CID55011446
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC(C)N(CC(F)(F)F)C1CCCCC1CN
InChIInChI=1S/C12H23F3N2/c1-9(2)17(8-12(13,14)15)11-6-4-3-5-10(11)7-16/h9-11H,3-8,16H2,1-2H3
InChIKeyPQZKRVMAFQWOEX-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (CID 55011446) is 2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is CC(C)N(CC(F)(F)F)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The InChIKey is PQZKRVMAFQWOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-9(2)17(8-12(13,14)15)11-6-4-3-5-10(11)7-16/h9-11H,3-8,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 55011446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).