N'-hexyl-N,N-dimethylethanimidamide

C10H22N2 — CID 525280

IUPACN'-hexyl-N,N-dimethylethanimidamide
SMILESCCCCCC/N=C(\C)N(C)C
InChIInChI=1S/C10H22N2/c1-5-6-7-8-9-11-10(2)12(3)4/h5-9H2,1-4H3/b11-10+
InChIKeyBWEYLJQZCIDMME-ZHACJKMWSA-N
MW170.30 g/mol
LogP2.55
Rot. Bonds5

About N'-hexyl-N,N-dimethylethanimidamide

N'-hexyl-N,N-dimethylethanimidamide (PubChem CID 525280) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-hexyl-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-hexyl-N,N-dimethylethanimidamide
PubChem CID525280
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-hexyl-N,N-dimethylethanimidamide
SMILESCCCCCC/N=C(\C)N(C)C
InChIInChI=1S/C10H22N2/c1-5-6-7-8-9-11-10(2)12(3)4/h5-9H2,1-4H3/b11-10+
InChIKeyBWEYLJQZCIDMME-ZHACJKMWSA-N
XLogP2.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.55
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-dimethylethanimidamide?
The IUPAC name of N'-hexyl-N,N-dimethylethanimidamide (CID 525280) is N'-hexyl-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-hexyl-N,N-dimethylethanimidamide?
The canonical SMILES for N'-hexyl-N,N-dimethylethanimidamide is CCCCCC/N=C(\C)N(C)C.
What is the InChIKey of N'-hexyl-N,N-dimethylethanimidamide?
The InChIKey is BWEYLJQZCIDMME-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-6-7-8-9-11-10(2)12(3)4/h5-9H2,1-4H3/b11-10+.
What are the key properties of N'-hexyl-N,N-dimethylethanimidamide?
N'-hexyl-N,N-dimethylethanimidamide has a molecular weight of 170.30 g/mol, XLogP of 2.55, 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-dimethylethanimidamide is sourced from PubChem (CID 525280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).