N'-[6-(dimethylaminomethylideneamino)hexyl]-N,N-dimethylmethanimidamide

C12H26N4 — CID 25867

IUPACN'-[6-(dimethylaminomethylideneamino)hexyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/CCCCCC/N=C/N(C)C
InChIInChI=1S/C12H26N4/c1-15(2)11-13-9-7-5-6-8-10-14-12-16(3)4/h11-12H,5-10H2,1-4H3/b13-11+,14-12+
InChIKeyDRRLISJSIRUJJT-PHEQNACWSA-N
MW226.37 g/mol
LogP1.73
Rot. Bonds9

About N'-[6-(dimethylaminomethylideneamino)hexyl]-N,N-dimethylmethanimidamide

N'-[6-(dimethylaminomethylideneamino)hexyl]-N,N-dimethylmethanimidamide (PubChem CID 25867) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is N'-[6-(dimethylaminomethylideneamino)hexyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[6-(dimethylaminomethylideneamino)hexyl]-N,N-dimethylmethanimidamide
PubChem CID25867
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC NameN'-[6-(dimethylaminomethylideneamino)hexyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/CCCCCC/N=C/N(C)C
InChIInChI=1S/C12H26N4/c1-15(2)11-13-9-7-5-6-8-10-14-12-16(3)4/h11-12H,5-10H2,1-4H3/b13-11+,14-12+
InChIKeyDRRLISJSIRUJJT-PHEQNACWSA-N
XLogP1.73
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'-[6-(dimethylaminomethylideneamino)hexyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[6-(dimethylaminomethylideneamino)hexyl]-N,N-dimethylmethanimidamide (CID 25867) is N'-[6-(dimethylaminomethylideneamino)hexyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[6-(dimethylaminomethylideneamino)hexyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[6-(dimethylaminomethylideneamino)hexyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/CCCCCC/N=C/N(C)C.
What is the InChIKey of N'-[6-(dimethylaminomethylideneamino)hexyl]-N,N-dimethylmethanimidamide?
The InChIKey is DRRLISJSIRUJJT-PHEQNACWSA-N. The full InChI is InChI=1S/C12H26N4/c1-15(2)11-13-9-7-5-6-8-10-14-12-16(3)4/h11-12H,5-10H2,1-4H3/b13-11+,14-12+.
What are the key properties of N'-[6-(dimethylaminomethylideneamino)hexyl]-N,N-dimethylmethanimidamide?
N'-[6-(dimethylaminomethylideneamino)hexyl]-N,N-dimethylmethanimidamide has a molecular weight of 226.37 g/mol, XLogP of 1.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(dimethylaminomethylideneamino)hexyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 25867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).