6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide

C17H33N3O — CID 106710901

IUPAC6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCN(CCCCC(C)(C)C(N)=NO)CC1CC2CCC1C2
InChIInChI=1S/C17H33N3O/c1-17(2,16(18)19-21)8-4-5-9-20(3)12-15-11-13-6-7-14(15)10-13/h13-15,21H,4-12H2,1-3H3,(H2,18,19)
InChIKeyDDGQNHMFAFYNGV-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.30
Rot. Bonds8

About 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide

6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106710901) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106710901
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCN(CCCCC(C)(C)C(N)=NO)CC1CC2CCC1C2
InChIInChI=1S/C17H33N3O/c1-17(2,16(18)19-21)8-4-5-9-20(3)12-15-11-13-6-7-14(15)10-13/h13-15,21H,4-12H2,1-3H3,(H2,18,19)
InChIKeyDDGQNHMFAFYNGV-UHFFFAOYSA-N
XLogP3.30
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide
CID 106710729
4-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062762
6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711430
methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate
CID 63682513
2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile
CID 106803671
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 63682344
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63683794
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N',2-dimethylpentane-1,5-diamine
CID 82684236
N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide
CID 106710751
N'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide
CID 106711667
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65267300
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,2-dimethylpentane-1,2-diamine
CID 63683439

Frequently Asked Questions

What is the IUPAC name of 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106710901) is 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide is CN(CCCCC(C)(C)C(N)=NO)CC1CC2CCC1C2.
What is the InChIKey of 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is DDGQNHMFAFYNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-17(2,16(18)19-21)8-4-5-9-20(3)12-15-11-13-6-7-14(15)10-13/h13-15,21H,4-12H2,1-3H3,(H2,18,19).
What are the key properties of 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide?
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 295.47 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106710901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).