N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide

C10H23N3O — CID 77026159

IUPACN'-hydroxy-5-(pentan-3-ylamino)pentanimidamide
SMILESCCC(CC)NCCCCC(N)=NO
InChIInChI=1S/C10H23N3O/c1-3-9(4-2)12-8-6-5-7-10(11)13-14/h9,12,14H,3-8H2,1-2H3,(H2,11,13)
InChIKeyGRJFYZOCXXRXDS-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.68
Rot. Bonds8

About N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide

N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide (PubChem CID 77026159) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(pentan-3-ylamino)pentanimidamide
PubChem CID77026159
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC NameN'-hydroxy-5-(pentan-3-ylamino)pentanimidamide
SMILESCCC(CC)NCCCCC(N)=NO
InChIInChI=1S/C10H23N3O/c1-3-9(4-2)12-8-6-5-7-10(11)13-14/h9,12,14H,3-8H2,1-2H3,(H2,11,13)
InChIKeyGRJFYZOCXXRXDS-UHFFFAOYSA-N
XLogP1.68
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

5-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026529
N'-hydroxy-5-(octan-4-ylamino)pentanimidamide
CID 114137651
N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
CID 77029003
4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide
CID 77027423
N'-hydroxy-3-(5-methylhexylamino)pentanimidamide
CID 115325880
N'-hydroxy-5-(2-methylbutylamino)pentanimidamide
CID 77027184
N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide
CID 77030148
5-(but-3-yn-2-ylamino)-N'-hydroxypentanimidamide
CID 104921688
N'-hydroxy-3-(7-methyloctylamino)pentanimidamide
CID 114004141
3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide
CID 77029774
N'-hydroxy-3-(3-methylsulfanylpropylamino)pentanimidamide
CID 77029932
5-(dicyclopropylmethylamino)-N'-hydroxypentanimidamide
CID 77032523

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide (CID 77026159) is N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide is CCC(CC)NCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide?
The InChIKey is GRJFYZOCXXRXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-3-9(4-2)12-8-6-5-7-10(11)13-14/h9,12,14H,3-8H2,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide?
N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide has a molecular weight of 201.31 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide is sourced from PubChem (CID 77026159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).