N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C15H23F3N2S — CID 107556125

IUPACN-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCC(C)CNCc1ccc(CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C15H23F3N2S/c1-11(2)7-19-8-13-5-6-14(21-13)9-20(12-3-4-12)10-15(16,17)18/h5-6,11-12,19H,3-4,7-10H2,1-2H3
InChIKeyZEZNZSIPVAEHKQ-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.02
Rot. Bonds8

About N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 107556125) has the molecular formula C15H23F3N2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID107556125
Molecular FormulaC15H23F3N2S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC NameN-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCC(C)CNCc1ccc(CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C15H23F3N2S/c1-11(2)7-19-8-13-5-6-14(21-13)9-20(12-3-4-12)10-15(16,17)18/h5-6,11-12,19H,3-4,7-10H2,1-2H3
InChIKeyZEZNZSIPVAEHKQ-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine with MolForge

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Related Compounds

N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 107556124
N'-cyclopropyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62426642
N,2,2-trimethyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556559
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107555361
N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine
CID 107555759
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 107556382
N-ethyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
CID 80727214
N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 107556384
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine
CID 107557209
N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555832
N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282660
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 55073867

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 107556125) is N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CC(C)CNCc1ccc(CN(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is ZEZNZSIPVAEHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2S/c1-11(2)7-19-8-13-5-6-14(21-13)9-20(12-3-4-12)10-15(16,17)18/h5-6,11-12,19H,3-4,7-10H2,1-2H3.
What are the key properties of N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 320.42 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 107556125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).