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

C10H22N4O2 — CID 107223244

IUPACN'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCCN(CCO)CC1
InChIInChI=1S/C10H22N4O2/c1-9(10(11)12-16)14-4-2-3-13(5-6-14)7-8-15/h9,15-16H,2-8H2,1H3,(H2,11,12)
InChIKeyHLFNKAQNDRGYGO-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.88
Rot. Bonds4

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

N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide (PubChem CID 107223244) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide
PubChem CID107223244
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC NameN'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCCN(CCO)CC1
InChIInChI=1S/C10H22N4O2/c1-9(10(11)12-16)14-4-2-3-13(5-6-14)7-8-15/h9,15-16H,2-8H2,1H3,(H2,11,12)
InChIKeyHLFNKAQNDRGYGO-UHFFFAOYSA-N
XLogP-0.88
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.88
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]pentanimidamide
CID 43592116
N'-hydroxy-3-[2-hydroxyethyl(methyl)amino]butanimidamide
CID 60961042
3-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 60980113
3-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 61235606
N'-hydroxy-3-[2-hydroxyethyl(propyl)amino]propanimidamide
CID 61424575
N'-hydroxy-3-[2-hydroxyethyl(propyl)amino]butanimidamide
CID 61424676
3-[butyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 61446322
N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]propanimidamide
CID 61691662
N'-hydroxy-2-(1,4-oxazepan-4-yl)propanimidamide
CID 62974852
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
CID 76883614
N'-hydroxy-3-[2-hydroxyethyl(propan-2-yl)amino]butanimidamide
CID 76910999

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide (CID 107223244) is N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide is CC(C(N)=NO)N1CCCN(CCO)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide?
The InChIKey is HLFNKAQNDRGYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-9(10(11)12-16)14-4-2-3-13(5-6-14)7-8-15/h9,15-16H,2-8H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide?
N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide has a molecular weight of 230.31 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide is sourced from PubChem (CID 107223244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).