N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine

C21H27F3N4OS — CID 144934027

IUPACN-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
SMILESCN(N)C=O.Cc1ccc(C(F)(F)F)c(SCc2c(C3CC3)cccc2N(C)N)c1
InChIInChI=1S/C19H21F3N2S.C2H6N2O/c1-12-6-9-16(19(20,21)22)18(10-12)25-11-15-14(13-7-8-13)4-3-5-17(15)24(2)23;1-4(3)2-5/h3-6,9-10,13H,7-8,11,23H2,1-2H3;2H,3H2,1H3
InChIKeyMVWQGVBZMDREHF-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.44
Rot. Bonds6

About N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine

N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine (PubChem CID 144934027) has the molecular formula C21H27F3N4OS and a molecular weight of 440.54 g/mol. Its IUPAC name is N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine.

Molecular Properties

Compound NameN-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
PubChem CID144934027
Molecular FormulaC21H27F3N4OS
Molecular Weight440.54 g/mol
Exact Mass440.19
IUPAC NameN-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
SMILESCN(N)C=O.Cc1ccc(C(F)(F)F)c(SCc2c(C3CC3)cccc2N(C)N)c1
InChIInChI=1S/C19H21F3N2S.C2H6N2O/c1-12-6-9-16(19(20,21)22)18(10-12)25-11-15-14(13-7-8-13)4-3-5-17(15)24(2)23;1-4(3)2-5/h3-6,9-10,13H,7-8,11,23H2,1-2H3;2H,3H2,1H3
InChIKeyMVWQGVBZMDREHF-UHFFFAOYSA-N
XLogP4.44
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine?
The IUPAC name of N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine (CID 144934027) is N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine.
What is the SMILES notation for N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine?
The canonical SMILES for N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine is CN(N)C=O.Cc1ccc(C(F)(F)F)c(SCc2c(C3CC3)cccc2N(C)N)c1.
What is the InChIKey of N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine?
The InChIKey is MVWQGVBZMDREHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2S.C2H6N2O/c1-12-6-9-16(19(20,21)22)18(10-12)25-11-15-14(13-7-8-13)4-3-5-17(15)24(2)23;1-4(3)2-5/h3-6,9-10,13H,7-8,11,23H2,1-2H3;2H,3H2,1H3.
What are the key properties of N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine?
N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine has a molecular weight of 440.54 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-methyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine is sourced from PubChem (CID 144934027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).