N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide

C10H23N3O2 — CID 104867252

IUPACN'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide
SMILESCCCC(O)CNCCCCC(N)=NO
InChIInChI=1S/C10H23N3O2/c1-2-5-9(14)8-12-7-4-3-6-10(11)13-15/h9,12,14-15H,2-8H2,1H3,(H2,11,13)
InChIKeyCECSSWYUHFNFEQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.65
Rot. Bonds9

About N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide

N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide (PubChem CID 104867252) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide
PubChem CID104867252
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide
SMILESCCCC(O)CNCCCCC(N)=NO
InChIInChI=1S/C10H23N3O2/c1-2-5-9(14)8-12-7-4-3-6-10(11)13-15/h9,12,14-15H,2-8H2,1H3,(H2,11,13)
InChIKeyCECSSWYUHFNFEQ-UHFFFAOYSA-N
XLogP0.65
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

N'-hydroxy-3-(2-hydroxypentylamino)propanimidamide
CID 104867256
N'-hydroxy-5-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
CID 77030580
N'-hydroxy-5-(2-methylbutylamino)pentanimidamide
CID 77027184
4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide
CID 106287042
N'-hydroxy-5-(octan-4-ylamino)pentanimidamide
CID 114137651
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354
4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide
CID 104864232
5-(2-butoxyethylamino)-N'-hydroxypentanimidamide
CID 77030771
1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide (CID 104867252) is N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide is CCCC(O)CNCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide?
The InChIKey is CECSSWYUHFNFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-2-5-9(14)8-12-7-4-3-6-10(11)13-15/h9,12,14-15H,2-8H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide?
N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.65, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide is sourced from PubChem (CID 104867252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).