2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C14H25F3N4O — CID 111493220

IUPAC2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C14H25F3N4O/c1-3-18-13(20-11-7-5-4-6-8-11)19-9-12(22)21(2)10-14(15,16)17/h11H,3-10H2,1-2H3,(H2,18,19,20)
InChIKeyWXCMOJADELTOQD-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.89
Rot. Bonds5

About 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111493220) has the molecular formula C14H25F3N4O and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111493220
Molecular FormulaC14H25F3N4O
Molecular Weight322.38 g/mol
Exact Mass322.20
IUPAC Name2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C14H25F3N4O/c1-3-18-13(20-11-7-5-4-6-8-11)19-9-12(22)21(2)10-14(15,16)17/h11H,3-10H2,1-2H3,(H2,18,19,20)
InChIKeyWXCMOJADELTOQD-UHFFFAOYSA-N
XLogP1.89
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 111493220) is 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CCN/C(=N\CC(=O)N(C)CC(F)(F)F)NC1CCCCC1.
What is the InChIKey of 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WXCMOJADELTOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O/c1-3-18-13(20-11-7-5-4-6-8-11)19-9-12(22)21(2)10-14(15,16)17/h11H,3-10H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 322.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111493220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).