N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine

C14H27F3N2 — CID 55106115

IUPACN-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1CN(C)CC(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-10(2)11-5-6-13(18-3)12(7-11)8-19(4)9-14(15,16)17/h10-13,18H,5-9H2,1-4H3
InChIKeyVTXNQZKFEKTBRL-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.14
Rot. Bonds5

About N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine

N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 55106115) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID55106115
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC NameN-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1CN(C)CC(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-10(2)11-5-6-13(18-3)12(7-11)8-19(4)9-14(15,16)17/h10-13,18H,5-9H2,1-4H3
InChIKeyVTXNQZKFEKTBRL-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine (CID 55106115) is N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1CN(C)CC(F)(F)F.
What is the InChIKey of N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is VTXNQZKFEKTBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-10(2)11-5-6-13(18-3)12(7-11)8-19(4)9-14(15,16)17/h10-13,18H,5-9H2,1-4H3.
What are the key properties of N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 55106115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).