6-(diethylamino)-2,2-dimethylhexanimidamide

C12H27N3 — CID 106711904

IUPAC6-(diethylamino)-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(CC)CC
InChIInChI=1S/C12H27N3/c1-5-15(6-2)10-8-7-9-12(3,4)11(13)14/h5-10H2,1-4H3,(H3,13,14)
InChIKeyUEBGLZPFVXTXKJ-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.46
Rot. Bonds8

About 6-(diethylamino)-2,2-dimethylhexanimidamide

6-(diethylamino)-2,2-dimethylhexanimidamide (PubChem CID 106711904) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 6-(diethylamino)-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(diethylamino)-2,2-dimethylhexanimidamide
PubChem CID106711904
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name6-(diethylamino)-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(CC)CC
InChIInChI=1S/C12H27N3/c1-5-15(6-2)10-8-7-9-12(3,4)11(13)14/h5-10H2,1-4H3,(H3,13,14)
InChIKeyUEBGLZPFVXTXKJ-UHFFFAOYSA-N
XLogP2.46
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
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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Related Compounds

6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide
CID 106712213
5-[3-(dimethylamino)propyl-ethylamino]-2,2-dimethylpentanimidamide
CID 102993810
6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide
CID 106711942
2,2-dimethyloctanimidamide
CID 58158153
5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide
CID 65258077
6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide
CID 106711950
2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide
CID 106712046
2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 65258572
6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide
CID 106712040
5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide
CID 65258758
2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide
CID 65250610
4-[2-hydroxyethyl(methyl)amino]-2,2-dimethylbutanimidamide
CID 65252068

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(diethylamino)-2,2-dimethylhexanimidamide (CID 106711904) is 6-(diethylamino)-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(diethylamino)-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(diethylamino)-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCN(CC)CC.
What is the InChIKey of 6-(diethylamino)-2,2-dimethylhexanimidamide?
The InChIKey is UEBGLZPFVXTXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-5-15(6-2)10-8-7-9-12(3,4)11(13)14/h5-10H2,1-4H3,(H3,13,14).
What are the key properties of 6-(diethylamino)-2,2-dimethylhexanimidamide?
6-(diethylamino)-2,2-dimethylhexanimidamide has a molecular weight of 213.37 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).