N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide

C15H26N4O — CID 106711107

IUPACN'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide
SMILESCc1cccc(CNCCCCC(C)(C)/C(N)=N/O)n1
InChIInChI=1S/C15H26N4O/c1-12-7-6-8-13(18-12)11-17-10-5-4-9-15(2,3)14(16)19-20/h6-8,17,20H,4-5,9-11H2,1-3H3,(H2,16,19)
InChIKeyDQIVCEYARHRSFK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.42
Rot. Bonds8

About N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide

N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide (PubChem CID 106711107) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide
PubChem CID106711107
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide
SMILESCc1cccc(CNCCCCC(C)(C)/C(N)=N/O)n1
InChIInChI=1S/C15H26N4O/c1-12-7-6-8-13(18-12)11-17-10-5-4-9-15(2,3)14(16)19-20/h6-8,17,20H,4-5,9-11H2,1-3H3,(H2,16,19)
InChIKeyDQIVCEYARHRSFK-UHFFFAOYSA-N
XLogP2.42
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.42
H-Bond Donors ≤ 53
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

N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 14280569
N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide
CID 77063966
5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064047
3-[(6-methyl-2-pyridinyl)methylamino]propanamide
CID 62323562
N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 60961143
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide
CID 106711462
3-cyclopentyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114136937
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 76939036
N'-hydroxy-2,2-dimethyl-6-[1-(4-methylphenyl)ethylamino]hexanimidamide
CID 106711270
6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711027

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide (CID 106711107) is N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide is Cc1cccc(CNCCCCC(C)(C)/C(N)=N/O)n1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide?
The InChIKey is DQIVCEYARHRSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-7-6-8-13(18-12)11-17-10-5-4-9-15(2,3)14(16)19-20/h6-8,17,20H,4-5,9-11H2,1-3H3,(H2,16,19).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide has a molecular weight of 278.40 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide is sourced from PubChem (CID 106711107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).