N'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylethylamino)pentanimidamide

C14H30N4O — CID 77063819

IUPACN'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylethylamino)pentanimidamide
SMILESCC(C)(CCCNCCN1CCCCC1)C(N)=NO
InChIInChI=1S/C14H30N4O/c1-14(2,13(15)17-19)7-6-8-16-9-12-18-10-4-3-5-11-18/h16,19H,3-12H2,1-2H3,(H2,15,17)
InChIKeyJTPXCFCQSLLZNV-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.61
Rot. Bonds8

About N'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylethylamino)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylethylamino)pentanimidamide (PubChem CID 77063819) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylethylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylethylamino)pentanimidamide
PubChem CID77063819
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylethylamino)pentanimidamide
SMILESCC(C)(CCCNCCN1CCCCC1)C(N)=NO
InChIInChI=1S/C14H30N4O/c1-14(2,13(15)17-19)7-6-8-16-9-12-18-10-4-3-5-11-18/h16,19H,3-12H2,1-2H3,(H2,15,17)
InChIKeyJTPXCFCQSLLZNV-UHFFFAOYSA-N
XLogP1.61
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.61
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylethylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylethylamino)pentanimidamide (CID 77063819) is N'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylethylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylethylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylethylamino)pentanimidamide is CC(C)(CCCNCCN1CCCCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylethylamino)pentanimidamide?
The InChIKey is JTPXCFCQSLLZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-14(2,13(15)17-19)7-6-8-16-9-12-18-10-4-3-5-11-18/h16,19H,3-12H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylethylamino)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(2-piperidin-1-ylethylamino)pentanimidamide has a molecular weight of 270.42 g/mol, XLogP of 1.61, 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-5-(2-piperidin-1-ylethylamino)pentanimidamide is sourced from PubChem (CID 77063819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).