N'-hydroxy-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide

C15H32N4O2 — CID 107223247

IUPACN'-hydroxy-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCN1CCCN(CCO)CC1)C(N)=NO
InChIInChI=1S/C15H32N4O2/c1-15(2,14(16)17-21)6-3-4-7-18-8-5-9-19(11-10-18)12-13-20/h20-21H,3-13H2,1-2H3,(H2,16,17)
InChIKeyBNABMZGTTDSOMF-UHFFFAOYSA-N
MW300.45 g/mol
LogP0.93
Rot. Bonds8

About N'-hydroxy-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide

N'-hydroxy-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide (PubChem CID 107223247) has the molecular formula C15H32N4O2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N'-hydroxy-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide
PubChem CID107223247
Molecular FormulaC15H32N4O2
Molecular Weight300.45 g/mol
Exact Mass300.25
IUPAC NameN'-hydroxy-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCN1CCCN(CCO)CC1)C(N)=NO
InChIInChI=1S/C15H32N4O2/c1-15(2,14(16)17-21)6-3-4-7-18-8-5-9-19(11-10-18)12-13-20/h20-21H,3-13H2,1-2H3,(H2,16,17)
InChIKeyBNABMZGTTDSOMF-UHFFFAOYSA-N
XLogP0.93
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 50.93
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide (CID 107223247) is N'-hydroxy-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide is CC(C)(CCCCN1CCCN(CCO)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide?
The InChIKey is BNABMZGTTDSOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2/c1-15(2,14(16)17-21)6-3-4-7-18-8-5-9-19(11-10-18)12-13-20/h20-21H,3-13H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide?
N'-hydroxy-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide has a molecular weight of 300.45 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 107223247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).