N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide

C12H26N4O2 — CID 107223254

IUPACN'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide
SMILESNC(CCCCN1CCCN(CCO)CC1)=NO
InChIInChI=1S/C12H26N4O2/c13-12(14-18)4-1-2-5-15-6-3-7-16(9-8-15)10-11-17/h17-18H,1-11H2,(H2,13,14)
InChIKeyYEZBVWRDZCHEFD-UHFFFAOYSA-N
MW258.37 g/mol
LogP-0.10
Rot. Bonds7

About N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide

N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide (PubChem CID 107223254) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide
PubChem CID107223254
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC NameN'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide
SMILESNC(CCCCN1CCCN(CCO)CC1)=NO
InChIInChI=1S/C12H26N4O2/c13-12(14-18)4-1-2-5-15-6-3-7-16(9-8-15)10-11-17/h17-18H,1-11H2,(H2,13,14)
InChIKeyYEZBVWRDZCHEFD-UHFFFAOYSA-N
XLogP-0.10
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.10
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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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-5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 54966179
5-[butyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 61524324
N'-hydroxy-5-[2-hydroxyethyl(methyl)amino]pentanimidamide
CID 61524403
5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 61524404
5-[bis(2-hydroxyethyl)amino]-N'-hydroxypentanimidamide
CID 61524490
N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pentanimidamide
CID 61524781
N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide
CID 107223242
N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanimidamide
CID 107223244
N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]cyclopropyl]ethanimidamide
CID 107223251
N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanimidamide
CID 107223252

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide (CID 107223254) is N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide is NC(CCCCN1CCCN(CCO)CC1)=NO.
What is the InChIKey of N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide?
The InChIKey is YEZBVWRDZCHEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c13-12(14-18)4-1-2-5-15-6-3-7-16(9-8-15)10-11-17/h17-18H,1-11H2,(H2,13,14).
What are the key properties of N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide?
N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide has a molecular weight of 258.37 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pentanimidamide is sourced from PubChem (CID 107223254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).