1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

C12H23F3N2 — CID 81320515

IUPAC1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1(CN)NCC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-9-6-10(2,3)4-5-11(9,7-16)17-8-12(13,14)15/h9,17H,4-8,16H2,1-3H3
InChIKeyUAAJFQSQXABUPO-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.68
Rot. Bonds3

About 1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (PubChem CID 81320515) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
PubChem CID81320515
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1(CN)NCC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-9-6-10(2,3)4-5-11(9,7-16)17-8-12(13,14)15/h9,17H,4-8,16H2,1-3H3
InChIKeyUAAJFQSQXABUPO-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (CID 81320515) is 1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is CC1CC(C)(C)CCC1(CN)NCC(F)(F)F.
What is the InChIKey of 1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The InChIKey is UAAJFQSQXABUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-9-6-10(2,3)4-5-11(9,7-16)17-8-12(13,14)15/h9,17H,4-8,16H2,1-3H3.
What are the key properties of 1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 81320515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).