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

C22H29F3N4OS — CID 144934014

IUPACN-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-ethyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
SMILESCCc1ccc(C(F)(F)F)c(SCc2c(C3CC3)cccc2N(C)N)c1.CN(N)C=O
InChIInChI=1S/C20H23F3N2S.C2H6N2O/c1-3-13-7-10-17(20(21,22)23)19(11-13)26-12-16-15(14-8-9-14)5-4-6-18(16)25(2)24;1-4(3)2-5/h4-7,10-11,14H,3,8-9,12,24H2,1-2H3;2H,3H2,1H3
InChIKeyQBFQRUXDFMNEEP-UHFFFAOYSA-N
MW454.56 g/mol
LogP4.70
Rot. Bonds7

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

N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-ethyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine (PubChem CID 144934014) has the molecular formula C22H29F3N4OS and a molecular weight of 454.56 g/mol. Its IUPAC name is N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-ethyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine.

Molecular Properties

Compound NameN-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-ethyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
PubChem CID144934014
Molecular FormulaC22H29F3N4OS
Molecular Weight454.56 g/mol
Exact Mass454.20
IUPAC NameN-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-ethyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
SMILESCCc1ccc(C(F)(F)F)c(SCc2c(C3CC3)cccc2N(C)N)c1.CN(N)C=O
InChIInChI=1S/C20H23F3N2S.C2H6N2O/c1-3-13-7-10-17(20(21,22)23)19(11-13)26-12-16-15(14-8-9-14)5-4-6-18(16)25(2)24;1-4(3)2-5/h4-7,10-11,14H,3,8-9,12,24H2,1-2H3;2H,3H2,1H3
InChIKeyQBFQRUXDFMNEEP-UHFFFAOYSA-N
XLogP4.70
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 54.70
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-ethyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine?
The IUPAC name of N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-ethyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine (CID 144934014) is N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-ethyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine.
What is the SMILES notation for N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-ethyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine?
The canonical SMILES for N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-ethyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine is CCc1ccc(C(F)(F)F)c(SCc2c(C3CC3)cccc2N(C)N)c1.CN(N)C=O.
What is the InChIKey of N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-ethyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine?
The InChIKey is QBFQRUXDFMNEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2S.C2H6N2O/c1-3-13-7-10-17(20(21,22)23)19(11-13)26-12-16-15(14-8-9-14)5-4-6-18(16)25(2)24;1-4(3)2-5/h4-7,10-11,14H,3,8-9,12,24H2,1-2H3;2H,3H2,1H3.
What are the key properties of N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-ethyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine?
N-amino-N-methylformamide;1-[3-cyclopropyl-2-[[5-ethyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine has a molecular weight of 454.56 g/mol, XLogP of 4.70, 7 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-ethyl-2-(trifluoromethyl)phenyl]sulfanylmethyl]phenyl]-1-methylhydrazine is sourced from PubChem (CID 144934014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).