N,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine

C12H23F3N2 — CID 61212302

IUPACN,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine
SMILESCC1CCCC(CNCC(F)(F)F)(N(C)C)C1
InChIInChI=1S/C12H23F3N2/c1-10-5-4-6-11(7-10,17(2)3)8-16-9-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyHAQHHEPEFGOUHM-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds4

About N,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine

N,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine (PubChem CID 61212302) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine
PubChem CID61212302
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine
SMILESCC1CCCC(CNCC(F)(F)F)(N(C)C)C1
InChIInChI=1S/C12H23F3N2/c1-10-5-4-6-11(7-10,17(2)3)8-16-9-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyHAQHHEPEFGOUHM-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of N,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine (CID 61212302) is N,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine is CC1CCCC(CNCC(F)(F)F)(N(C)C)C1.
What is the InChIKey of N,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine?
The InChIKey is HAQHHEPEFGOUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-10-5-4-6-11(7-10,17(2)3)8-16-9-12(13,14)15/h10,16H,4-9H2,1-3H3.
What are the key properties of N,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine?
N,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-1-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 61212302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).