N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide

C11H24N4O2 — CID 107223253

IUPACN'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide
SMILESCC(CN1CCCN(CCO)CC1)C(N)=NO
InChIInChI=1S/C11H24N4O2/c1-10(11(12)13-17)9-15-4-2-3-14(5-6-15)7-8-16/h10,16-17H,2-9H2,1H3,(H2,12,13)
InChIKeyGAQUQGBYGLAKJO-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.63
Rot. Bonds5

About N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide

N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide (PubChem CID 107223253) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide
PubChem CID107223253
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC NameN'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide
SMILESCC(CN1CCCN(CCO)CC1)C(N)=NO
InChIInChI=1S/C11H24N4O2/c1-10(11(12)13-17)9-15-4-2-3-14(5-6-15)7-8-16/h10,16-17H,2-9H2,1H3,(H2,12,13)
InChIKeyGAQUQGBYGLAKJO-UHFFFAOYSA-N
XLogP-0.63
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]propanimidamide
CID 107223245
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide
CID 43592117
N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]-2-methylpropanimidamide
CID 60960898
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 60979981
3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 61235605
N'-hydroxy-3-[2-hydroxyethyl(propyl)amino]propanimidamide
CID 61424575
N'-hydroxy-3-[2-hydroxyethyl(propyl)amino]-2-methylpropanimidamide
CID 61424627
3-[butyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 61446277
N'-hydroxy-3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanimidamide
CID 76911031
N'-hydroxy-3-[2-hydroxypropyl(methyl)amino]-2-methylpropanimidamide
CID 76939972
N'-hydroxy-3-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylpropanimidamide
CID 104861629
N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide
CID 107223242

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide (CID 107223253) is N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide is CC(CN1CCCN(CCO)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide?
The InChIKey is GAQUQGBYGLAKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-10(11(12)13-17)9-15-4-2-3-14(5-6-15)7-8-16/h10,16-17H,2-9H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide?
N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide has a molecular weight of 244.34 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropanimidamide is sourced from PubChem (CID 107223253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).