N'-decyl-N,N,2,2-tetramethylpropanimidamide

C17H36N2 — CID 525901

IUPACN'-decyl-N,N,2,2-tetramethylpropanimidamide
SMILESCCCCCCCCCC/N=C(\N(C)C)C(C)(C)C
InChIInChI=1S/C17H36N2/c1-7-8-9-10-11-12-13-14-15-18-16(19(5)6)17(2,3)4/h7-15H2,1-6H3/b18-16-
InChIKeyMVDBTRGWTVVZAF-VLGSPTGOSA-N
MW268.49 g/mol
LogP5.13
Rot. Bonds9

About N'-decyl-N,N,2,2-tetramethylpropanimidamide

N'-decyl-N,N,2,2-tetramethylpropanimidamide (PubChem CID 525901) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N'-decyl-N,N,2,2-tetramethylpropanimidamide.

Molecular Properties

Compound NameN'-decyl-N,N,2,2-tetramethylpropanimidamide
PubChem CID525901
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN'-decyl-N,N,2,2-tetramethylpropanimidamide
SMILESCCCCCCCCCC/N=C(\N(C)C)C(C)(C)C
InChIInChI=1S/C17H36N2/c1-7-8-9-10-11-12-13-14-15-18-16(19(5)6)17(2,3)4/h7-15H2,1-6H3/b18-16-
InChIKeyMVDBTRGWTVVZAF-VLGSPTGOSA-N
XLogP5.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.49
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-decyl-N,N,2,2-tetramethylpropanimidamide?
The IUPAC name of N'-decyl-N,N,2,2-tetramethylpropanimidamide (CID 525901) is N'-decyl-N,N,2,2-tetramethylpropanimidamide.
What is the SMILES notation for N'-decyl-N,N,2,2-tetramethylpropanimidamide?
The canonical SMILES for N'-decyl-N,N,2,2-tetramethylpropanimidamide is CCCCCCCCCC/N=C(\N(C)C)C(C)(C)C.
What is the InChIKey of N'-decyl-N,N,2,2-tetramethylpropanimidamide?
The InChIKey is MVDBTRGWTVVZAF-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-8-9-10-11-12-13-14-15-18-16(19(5)6)17(2,3)4/h7-15H2,1-6H3/b18-16-.
What are the key properties of N'-decyl-N,N,2,2-tetramethylpropanimidamide?
N'-decyl-N,N,2,2-tetramethylpropanimidamide has a molecular weight of 268.49 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-decyl-N,N,2,2-tetramethylpropanimidamide is sourced from PubChem (CID 525901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).