N'-hydroxy-2,2-dimethyl-5-(4-propylpiperazin-1-yl)pentanimidamide

C14H30N4O — CID 77063091

IUPACN'-hydroxy-2,2-dimethyl-5-(4-propylpiperazin-1-yl)pentanimidamide
SMILESCCCN1CCN(CCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H30N4O/c1-4-7-17-9-11-18(12-10-17)8-5-6-14(2,3)13(15)16-19/h19H,4-12H2,1-3H3,(H2,15,16)
InChIKeyBFCVVGQRBPDFPZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.57
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-5-(4-propylpiperazin-1-yl)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(4-propylpiperazin-1-yl)pentanimidamide (PubChem CID 77063091) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(4-propylpiperazin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(4-propylpiperazin-1-yl)pentanimidamide
PubChem CID77063091
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(4-propylpiperazin-1-yl)pentanimidamide
SMILESCCCN1CCN(CCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H30N4O/c1-4-7-17-9-11-18(12-10-17)8-5-6-14(2,3)13(15)16-19/h19H,4-12H2,1-3H3,(H2,15,16)
InChIKeyBFCVVGQRBPDFPZ-UHFFFAOYSA-N
XLogP1.57
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-(4-propylpiperazin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(4-propylpiperazin-1-yl)pentanimidamide (CID 77063091) is N'-hydroxy-2,2-dimethyl-5-(4-propylpiperazin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(4-propylpiperazin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(4-propylpiperazin-1-yl)pentanimidamide is CCCN1CCN(CCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(4-propylpiperazin-1-yl)pentanimidamide?
The InChIKey is BFCVVGQRBPDFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-4-7-17-9-11-18(12-10-17)8-5-6-14(2,3)13(15)16-19/h19H,4-12H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(4-propylpiperazin-1-yl)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(4-propylpiperazin-1-yl)pentanimidamide has a molecular weight of 270.42 g/mol, XLogP of 1.57, 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-5-(4-propylpiperazin-1-yl)pentanimidamide is sourced from PubChem (CID 77063091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).