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

C11H24N4O2 — CID 107223255

IUPACN'-hydroxy-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide
SMILESNC(CCCN1CCCN(CCO)CC1)=NO
InChIInChI=1S/C11H24N4O2/c12-11(13-17)3-1-4-14-5-2-6-15(8-7-14)9-10-16/h16-17H,1-10H2,(H2,12,13)
InChIKeyKWUCWEWOCXTZID-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.49
Rot. Bonds6

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

N'-hydroxy-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide (PubChem CID 107223255) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-hydroxy-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide
PubChem CID107223255
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC NameN'-hydroxy-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide
SMILESNC(CCCN1CCCN(CCO)CC1)=NO
InChIInChI=1S/C11H24N4O2/c12-11(13-17)3-1-4-14-5-2-6-15(8-7-14)9-10-16/h16-17H,1-10H2,(H2,12,13)
InChIKeyKWUCWEWOCXTZID-UHFFFAOYSA-N
XLogP-0.49
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.49
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-4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
CID 43592113
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
CID 43592115
4-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 61235233
2-[butyl(2-hydroxyethyl)amino]-N'-hydroxyethanimidamide
CID 61446224
3-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 61446225
2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 76915250
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 76915690
N'-hydroxy-2-[2-hydroxyethyl(propan-2-yl)amino]butanimidamide
CID 76915761
N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]butanimidamide
CID 76915777
2-[butyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 76915779
2-[bis(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 76915794

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide (CID 107223255) is N'-hydroxy-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide is NC(CCCN1CCCN(CCO)CC1)=NO.
What is the InChIKey of N'-hydroxy-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide?
The InChIKey is KWUCWEWOCXTZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c12-11(13-17)3-1-4-14-5-2-6-15(8-7-14)9-10-16/h16-17H,1-10H2,(H2,12,13).
What are the key properties of N'-hydroxy-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide?
N'-hydroxy-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide has a molecular weight of 244.34 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]butanimidamide is sourced from PubChem (CID 107223255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).