N'-hexyl-N,N,2,2-tetramethylpropanimidamide

C13H28N2 — CID 525905

IUPACN'-hexyl-N,N,2,2-tetramethylpropanimidamide
SMILESCCCCCC/N=C(\N(C)C)C(C)(C)C
InChIInChI=1S/C13H28N2/c1-7-8-9-10-11-14-12(15(5)6)13(2,3)4/h7-11H2,1-6H3/b14-12-
InChIKeySRHWRWHIGQGKIB-OWBHPGMISA-N
MW212.38 g/mol
LogP3.57
Rot. Bonds5

About N'-hexyl-N,N,2,2-tetramethylpropanimidamide

N'-hexyl-N,N,2,2-tetramethylpropanimidamide (PubChem CID 525905) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-hexyl-N,N,2,2-tetramethylpropanimidamide.

Molecular Properties

Compound NameN'-hexyl-N,N,2,2-tetramethylpropanimidamide
PubChem CID525905
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-hexyl-N,N,2,2-tetramethylpropanimidamide
SMILESCCCCCC/N=C(\N(C)C)C(C)(C)C
InChIInChI=1S/C13H28N2/c1-7-8-9-10-11-14-12(15(5)6)13(2,3)4/h7-11H2,1-6H3/b14-12-
InChIKeySRHWRWHIGQGKIB-OWBHPGMISA-N
XLogP3.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.57
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'-hexyl-N,N,2,2-tetramethylpropanimidamide?
The IUPAC name of N'-hexyl-N,N,2,2-tetramethylpropanimidamide (CID 525905) is N'-hexyl-N,N,2,2-tetramethylpropanimidamide.
What is the SMILES notation for N'-hexyl-N,N,2,2-tetramethylpropanimidamide?
The canonical SMILES for N'-hexyl-N,N,2,2-tetramethylpropanimidamide is CCCCCC/N=C(\N(C)C)C(C)(C)C.
What is the InChIKey of N'-hexyl-N,N,2,2-tetramethylpropanimidamide?
The InChIKey is SRHWRWHIGQGKIB-OWBHPGMISA-N. The full InChI is InChI=1S/C13H28N2/c1-7-8-9-10-11-14-12(15(5)6)13(2,3)4/h7-11H2,1-6H3/b14-12-.
What are the key properties of N'-hexyl-N,N,2,2-tetramethylpropanimidamide?
N'-hexyl-N,N,2,2-tetramethylpropanimidamide has a molecular weight of 212.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexyl-N,N,2,2-tetramethylpropanimidamide is sourced from PubChem (CID 525905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).