N'-hydroxy-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide

C12H27N5O — CID 83015356

IUPACN'-hydroxy-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide
SMILESCN1CCN(NCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C12H27N5O/c1-12(2,11(13)15-18)5-4-6-14-17-9-7-16(3)8-10-17/h14,18H,4-10H2,1-3H3,(H2,13,15)
InChIKeyPVKYMWOBOHLYHV-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.29
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide

N'-hydroxy-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide (PubChem CID 83015356) has the molecular formula C12H27N5O and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide
PubChem CID83015356
Molecular FormulaC12H27N5O
Molecular Weight257.38 g/mol
Exact Mass257.22
IUPAC NameN'-hydroxy-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide
SMILESCN1CCN(NCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C12H27N5O/c1-12(2,11(13)15-18)5-4-6-14-17-9-7-16(3)8-10-17/h14,18H,4-10H2,1-3H3,(H2,13,15)
InChIKeyPVKYMWOBOHLYHV-UHFFFAOYSA-N
XLogP0.29
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.29
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-4-(2-piperidin-1-ylethylamino)butanimidamide
CID 77062671
N'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide
CID 77063057
N'-hydroxy-2,2-dimethyl-5-(4-propylpiperazin-1-yl)pentanimidamide
CID 77063091
5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063092
N'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylethylamino)pentanimidamide
CID 77063819
N'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide
CID 83015223
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
N'-hydroxy-2,2-dimethyl-4-(piperidin-1-ylamino)butanimidamide
CID 83016655

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide (CID 83015356) is N'-hydroxy-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide is CN1CCN(NCCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide?
The InChIKey is PVKYMWOBOHLYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N5O/c1-12(2,11(13)15-18)5-4-6-14-17-9-7-16(3)8-10-17/h14,18H,4-10H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide has a molecular weight of 257.38 g/mol, XLogP of 0.29, 6 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-5-[(4-methylpiperazin-1-yl)amino]pentanimidamide is sourced from PubChem (CID 83015356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).