N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide

C14H29N3O2 — CID 106710751

IUPACN'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide
SMILESCN(CCCCC(C)(C)C(N)=NO)C1CCOCC1
InChIInChI=1S/C14H29N3O2/c1-14(2,13(15)16-18)8-4-5-9-17(3)12-6-10-19-11-7-12/h12,18H,4-11H2,1-3H3,(H2,15,16)
InChIKeyQUFIKEZGXPQHLV-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.04
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide

N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide (PubChem CID 106710751) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide
PubChem CID106710751
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide
SMILESCN(CCCCC(C)(C)C(N)=NO)C1CCOCC1
InChIInChI=1S/C14H29N3O2/c1-14(2,13(15)16-18)8-4-5-9-17(3)12-6-10-19-11-7-12/h12,18H,4-11H2,1-3H3,(H2,15,16)
InChIKeyQUFIKEZGXPQHLV-UHFFFAOYSA-N
XLogP2.04
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710834
2,2-dimethyl-5-[methyl(oxan-4-yl)amino]pentanethioamide
CID 65260088
5-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064071
6-[2-[cyclopropyl(methyl)amino]ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711210
N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide
CID 106711830
N'-hydroxy-6-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylhexanimidamide
CID 106711667
2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile
CID 106709849
N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine
CID 43610795
6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710747
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
N'-hydroxy-2,2-dimethyl-6-[methyl(pentyl)amino]hexanimidamide
CID 106710729
6-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711430

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide (CID 106710751) is N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide is CN(CCCCC(C)(C)C(N)=NO)C1CCOCC1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide?
The InChIKey is QUFIKEZGXPQHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,13(15)16-18)8-4-5-9-17(3)12-6-10-19-11-7-12/h12,18H,4-11H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide has a molecular weight of 271.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide is sourced from PubChem (CID 106710751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).