N'-hydroxy-2,2-dimethyl-6-[(4-methylpiperazin-1-yl)amino]hexanimidamide

C13H29N5O — CID 106711528

IUPACN'-hydroxy-2,2-dimethyl-6-[(4-methylpiperazin-1-yl)amino]hexanimidamide
SMILESCN1CCN(NCCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C13H29N5O/c1-13(2,12(14)16-19)6-4-5-7-15-18-10-8-17(3)9-11-18/h15,19H,4-11H2,1-3H3,(H2,14,16)
InChIKeyWROLRMMKLYJDRW-UHFFFAOYSA-N
MW271.41 g/mol
LogP0.68
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-6-[(4-methylpiperazin-1-yl)amino]hexanimidamide

N'-hydroxy-2,2-dimethyl-6-[(4-methylpiperazin-1-yl)amino]hexanimidamide (PubChem CID 106711528) has the molecular formula C13H29N5O and a molecular weight of 271.41 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-[(4-methylpiperazin-1-yl)amino]hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-[(4-methylpiperazin-1-yl)amino]hexanimidamide
PubChem CID106711528
Molecular FormulaC13H29N5O
Molecular Weight271.41 g/mol
Exact Mass271.24
IUPAC NameN'-hydroxy-2,2-dimethyl-6-[(4-methylpiperazin-1-yl)amino]hexanimidamide
SMILESCN1CCN(NCCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C13H29N5O/c1-13(2,12(14)16-19)6-4-5-7-15-18-10-8-17(3)9-11-18/h15,19H,4-11H2,1-3H3,(H2,14,16)
InChIKeyWROLRMMKLYJDRW-UHFFFAOYSA-N
XLogP0.68
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-5-(2-piperidin-1-ylethylamino)pentanimidamide
CID 77063819
N'-hydroxy-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide
CID 83015356
N'-hydroxy-2,2-dimethyl-5-(piperidin-1-ylamino)pentanimidamide
CID 83015946
5-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 83015947
N'-hydroxy-2,2-dimethyl-4-[(4-methylpiperazin-1-yl)amino]butanimidamide
CID 83016191
5-(2,2-dimethylhydrazinyl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 83016411
N'-hydroxy-2-[1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide
CID 83016415
4-[(2,6-dimethylpiperidin-1-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 83016539
N'-hydroxy-2,2-dimethyl-4-(piperidin-1-ylamino)butanimidamide
CID 83016655
N'-hydroxy-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide
CID 83016658
N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
CID 106710684
6-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710707

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-[(4-methylpiperazin-1-yl)amino]hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-[(4-methylpiperazin-1-yl)amino]hexanimidamide (CID 106711528) is N'-hydroxy-2,2-dimethyl-6-[(4-methylpiperazin-1-yl)amino]hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-[(4-methylpiperazin-1-yl)amino]hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-[(4-methylpiperazin-1-yl)amino]hexanimidamide is CN1CCN(NCCCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-[(4-methylpiperazin-1-yl)amino]hexanimidamide?
The InChIKey is WROLRMMKLYJDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5O/c1-13(2,12(14)16-19)6-4-5-7-15-18-10-8-17(3)9-11-18/h15,19H,4-11H2,1-3H3,(H2,14,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-[(4-methylpiperazin-1-yl)amino]hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-[(4-methylpiperazin-1-yl)amino]hexanimidamide has a molecular weight of 271.41 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-[(4-methylpiperazin-1-yl)amino]hexanimidamide is sourced from PubChem (CID 106711528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).