N'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide

C14H31N3O2 — CID 77114081

IUPACN'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide
SMILESCC(C)CC(C)(O)CNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H31N3O2/c1-11(2)9-14(5,18)10-16-8-6-7-13(3,4)12(15)17-19/h11,16,18-19H,6-10H2,1-5H3,(H2,15,17)
InChIKeyKBAUEOUDPOWEMO-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.93
Rot. Bonds9

About N'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 77114081) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is N'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide
PubChem CID77114081
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC NameN'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide
SMILESCC(C)CC(C)(O)CNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H31N3O2/c1-11(2)9-14(5,18)10-16-8-6-7-13(3,4)12(15)17-19/h11,16,18-19H,6-10H2,1-5H3,(H2,15,17)
InChIKeyKBAUEOUDPOWEMO-UHFFFAOYSA-N
XLogP1.93
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.93
H-Bond Donors ≤ 54
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-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide (CID 77114081) is N'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide is CC(C)CC(C)(O)CNCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is KBAUEOUDPOWEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-11(2)9-14(5,18)10-16-8-6-7-13(3,4)12(15)17-19/h11,16,18-19H,6-10H2,1-5H3,(H2,15,17).
What are the key properties of N'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 273.42 g/mol, XLogP of 1.93, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77114081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).