N-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide

C12H13F11N2O — CID 4200833

IUPACN-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
SMILESCN(C)CCCNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H13F11N2O/c1-25(2)5-3-4-24-6(26)7(13)8(14,15)10(18,19)12(22,23)11(20,21)9(7,16)17/h3-5H2,1-2H3,(H,24,26)
InChIKeyVKUAEDZYJDJXCT-UHFFFAOYSA-N
MW410.23 g/mol
LogP2.95
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide

N-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide (PubChem CID 4200833) has the molecular formula C12H13F11N2O and a molecular weight of 410.23 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
PubChem CID4200833
Molecular FormulaC12H13F11N2O
Molecular Weight410.23 g/mol
Exact Mass410.09
IUPAC NameN-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
SMILESCN(C)CCCNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H13F11N2O/c1-25(2)5-3-4-24-6(26)7(13)8(14,15)10(18,19)12(22,23)11(20,21)9(7,16)17/h3-5H2,1-2H3,(H,24,26)
InChIKeyVKUAEDZYJDJXCT-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide (CID 4200833) is N-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide is CN(C)CCCNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The InChIKey is VKUAEDZYJDJXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F11N2O/c1-25(2)5-3-4-24-6(26)7(13)8(14,15)10(18,19)12(22,23)11(20,21)9(7,16)17/h3-5H2,1-2H3,(H,24,26).
What are the key properties of N-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
N-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide has a molecular weight of 410.23 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide is sourced from PubChem (CID 4200833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).