N'-hexyl-N,N-dimethylmethanimidamide

C9H20N2 — CID 523866

IUPACN'-hexyl-N,N-dimethylmethanimidamide
SMILESCCCCCC/N=C/N(C)C
InChIInChI=1S/C9H20N2/c1-4-5-6-7-8-10-9-11(2)3/h9H,4-8H2,1-3H3/b10-9+
InChIKeyLCVLTKREKPKYOA-MDZDMXLPSA-N
MW156.27 g/mol
LogP2.16
Rot. Bonds6

About N'-hexyl-N,N-dimethylmethanimidamide

N'-hexyl-N,N-dimethylmethanimidamide (PubChem CID 523866) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-hexyl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-hexyl-N,N-dimethylmethanimidamide
PubChem CID523866
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-hexyl-N,N-dimethylmethanimidamide
SMILESCCCCCC/N=C/N(C)C
InChIInChI=1S/C9H20N2/c1-4-5-6-7-8-10-9-11(2)3/h9H,4-8H2,1-3H3/b10-9+
InChIKeyLCVLTKREKPKYOA-MDZDMXLPSA-N
XLogP2.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.16
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-dimethylmethanimidamide?
The IUPAC name of N'-hexyl-N,N-dimethylmethanimidamide (CID 523866) is N'-hexyl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-hexyl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-hexyl-N,N-dimethylmethanimidamide is CCCCCC/N=C/N(C)C.
What is the InChIKey of N'-hexyl-N,N-dimethylmethanimidamide?
The InChIKey is LCVLTKREKPKYOA-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-5-6-7-8-10-9-11(2)3/h9H,4-8H2,1-3H3/b10-9+.
What are the key properties of N'-hexyl-N,N-dimethylmethanimidamide?
N'-hexyl-N,N-dimethylmethanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.16, 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-dimethylmethanimidamide is sourced from PubChem (CID 523866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).