N'-hexyl-N,N,2-trimethylpropanimidamide

C12H26N2 — CID 525904

IUPACN'-hexyl-N,N,2-trimethylpropanimidamide
SMILESCCCCCC/N=C(\C(C)C)N(C)C
InChIInChI=1S/C12H26N2/c1-6-7-8-9-10-13-12(11(2)3)14(4)5/h11H,6-10H2,1-5H3/b13-12+
InChIKeyKUZUEXIBJVQDPT-OUKQBFOZSA-N
MW198.35 g/mol
LogP3.18
Rot. Bonds6

About N'-hexyl-N,N,2-trimethylpropanimidamide

N'-hexyl-N,N,2-trimethylpropanimidamide (PubChem CID 525904) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-hexyl-N,N,2-trimethylpropanimidamide.

Molecular Properties

Compound NameN'-hexyl-N,N,2-trimethylpropanimidamide
PubChem CID525904
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-hexyl-N,N,2-trimethylpropanimidamide
SMILESCCCCCC/N=C(\C(C)C)N(C)C
InChIInChI=1S/C12H26N2/c1-6-7-8-9-10-13-12(11(2)3)14(4)5/h11H,6-10H2,1-5H3/b13-12+
InChIKeyKUZUEXIBJVQDPT-OUKQBFOZSA-N
XLogP3.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.18
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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Related Compounds

N,N-dimethyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 12345484
N'-Hexyl-N,N-dimethyl-acetamidine
CID 525280
Ethanimidamide, N,N-dimethyl-N'-pentyl-
CID 525283
N,N-Dimethyl-N'-decyl-propionamidine
CID 525839
N,N-Dimethyl-N'-hexyl-propionamidine
CID 525841
N,N-Dimethyl-N'-nonyl-propionamidine
CID 525842
N,N-Dimethyl-N'-octyl-propionamidine
CID 525843
N,N-Dimethyl-N'-propyl-isobutyramidine
CID 525846
N,N-Dimethyl-N'-butyl-propionamidine
CID 525837
N,N-Dimethyl-N'-cyclohexyl-propionamidine
CID 525838
N,N-Dimethyl-N'-heptyl-propionamidine
CID 525840
N,N-Dimethyl-N'-pentyl-propionamidine
CID 525844

Frequently Asked Questions

What is the IUPAC name of N'-hexyl-N,N,2-trimethylpropanimidamide?
The IUPAC name of N'-hexyl-N,N,2-trimethylpropanimidamide (CID 525904) is N'-hexyl-N,N,2-trimethylpropanimidamide.
What is the SMILES notation for N'-hexyl-N,N,2-trimethylpropanimidamide?
The canonical SMILES for N'-hexyl-N,N,2-trimethylpropanimidamide is CCCCCC/N=C(\C(C)C)N(C)C.
What is the InChIKey of N'-hexyl-N,N,2-trimethylpropanimidamide?
The InChIKey is KUZUEXIBJVQDPT-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-7-8-9-10-13-12(11(2)3)14(4)5/h11H,6-10H2,1-5H3/b13-12+.
What are the key properties of N'-hexyl-N,N,2-trimethylpropanimidamide?
N'-hexyl-N,N,2-trimethylpropanimidamide has a molecular weight of 198.35 g/mol, XLogP of 3.18, 6 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-trimethylpropanimidamide is sourced from PubChem (CID 525904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).