6-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide

C13H29N3O — CID 106712169

IUPAC6-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(C)CC(C)(C)O
InChIInChI=1S/C13H29N3O/c1-12(2,11(14)15)8-6-7-9-16(5)10-13(3,4)17/h17H,6-10H2,1-5H3,(H3,14,15)
InChIKeyBFCDYCGDMLYHOM-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.82
Rot. Bonds8

About 6-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide

6-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide (PubChem CID 106712169) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 6-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide
PubChem CID106712169
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name6-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(C)CC(C)(C)O
InChIInChI=1S/C13H29N3O/c1-12(2,11(14)15)8-6-7-9-16(5)10-13(3,4)17/h17H,6-10H2,1-5H3,(H3,14,15)
InChIKeyBFCDYCGDMLYHOM-UHFFFAOYSA-N
XLogP1.82
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

5-[2-Hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide
CID 65258077
5-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpentanimidamide
CID 65258145
5-[2-Hydroxyethyl(propan-2-yl)amino]-2,2-dimethylpentanimidamide
CID 65258375
5-[2-Hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide
CID 65258474
5-[2-Hydroxypropyl(methyl)amino]-2,2-dimethylpentanimidamide
CID 65258532
5-[Butyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
CID 65258670
5-[Bis(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
CID 65258965
5-[2-Hydroxyethyl(methyl)amino]-2,2-dimethylpentanimidamide
CID 65259452
5-[Ethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
CID 65259454
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 79380050
N'-hydroxy-5-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpentanimidamide
CID 79380231
4-[Ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylbutanimidamide
CID 79386755

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide (CID 106712169) is 6-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide is [H]/N=C(\N)C(C)(C)CCCCN(C)CC(C)(C)O.
What is the InChIKey of 6-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide?
The InChIKey is BFCDYCGDMLYHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-12(2,11(14)15)8-6-7-9-16(5)10-13(3,4)17/h17H,6-10H2,1-5H3,(H3,14,15).
What are the key properties of 6-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide?
6-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide has a molecular weight of 243.39 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106712169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).