N-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C13H20F3N3 — CID 170073235

IUPACN-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCNC1=CC(C(F)(F)F)=C(CN2CCN(C)C2)CC1
InChIInChI=1S/C13H20F3N3/c1-17-11-4-3-10(12(7-11)13(14,15)16)8-19-6-5-18(2)9-19/h7,17H,3-6,8-9H2,1-2H3
InChIKeyRKXCLEGCUHGBJY-UHFFFAOYSA-N
MW275.32 g/mol
LogP1.95
Rot. Bonds3

About N-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

N-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 170073235) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID170073235
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC NameN-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESCNC1=CC(C(F)(F)F)=C(CN2CCN(C)C2)CC1
InChIInChI=1S/C13H20F3N3/c1-17-11-4-3-10(12(7-11)13(14,15)16)8-19-6-5-18(2)9-19/h7,17H,3-6,8-9H2,1-2H3
InChIKeyRKXCLEGCUHGBJY-UHFFFAOYSA-N
XLogP1.95
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 170073235) is N-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is CNC1=CC(C(F)(F)F)=C(CN2CCN(C)C2)CC1.
What is the InChIKey of N-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is RKXCLEGCUHGBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-17-11-4-3-10(12(7-11)13(14,15)16)8-19-6-5-18(2)9-19/h7,17H,3-6,8-9H2,1-2H3.
What are the key properties of N-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
N-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 275.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 170073235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).