N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide

C14H31N3O2 — CID 77063664

IUPACN'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide
SMILESCCC(CC)N(CCO)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H31N3O2/c1-5-12(6-2)17(10-11-18)9-7-8-14(3,4)13(15)16-19/h12,18-19H,5-11H2,1-4H3,(H2,15,16)
InChIKeyAIJPOLLOBNHHRY-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.02
Rot. Bonds10

About N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide (PubChem CID 77063664) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide
PubChem CID77063664
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC NameN'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide
SMILESCCC(CC)N(CCO)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H31N3O2/c1-5-12(6-2)17(10-11-18)9-7-8-14(3,4)13(15)16-19/h12,18-19H,5-11H2,1-4H3,(H2,15,16)
InChIKeyAIJPOLLOBNHHRY-UHFFFAOYSA-N
XLogP2.02
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.02
H-Bond Donors ≤ 53
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-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide (CID 77063664) is N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide is CCC(CC)N(CCO)CCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is AIJPOLLOBNHHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-5-12(6-2)17(10-11-18)9-7-8-14(3,4)13(15)16-19/h12,18-19H,5-11H2,1-4H3,(H2,15,16).
What are the key properties of N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 273.42 g/mol, XLogP of 2.02, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-hydroxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).