N'-hydroxy-5-(octan-4-ylamino)pentanimidamide

C13H29N3O — CID 114137651

IUPACN'-hydroxy-5-(octan-4-ylamino)pentanimidamide
SMILESCCCCC(CCC)NCCCCC(N)=NO
InChIInChI=1S/C13H29N3O/c1-3-5-9-12(8-4-2)15-11-7-6-10-13(14)16-17/h12,15,17H,3-11H2,1-2H3,(H2,14,16)
InChIKeyHNHUGZNOVZFWGN-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.85
Rot. Bonds11

About N'-hydroxy-5-(octan-4-ylamino)pentanimidamide

N'-hydroxy-5-(octan-4-ylamino)pentanimidamide (PubChem CID 114137651) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N'-hydroxy-5-(octan-4-ylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(octan-4-ylamino)pentanimidamide
PubChem CID114137651
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN'-hydroxy-5-(octan-4-ylamino)pentanimidamide
SMILESCCCCC(CCC)NCCCCC(N)=NO
InChIInChI=1S/C13H29N3O/c1-3-5-9-12(8-4-2)15-11-7-6-10-13(14)16-17/h12,15,17H,3-11H2,1-2H3,(H2,14,16)
InChIKeyHNHUGZNOVZFWGN-UHFFFAOYSA-N
XLogP2.85
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.85
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'}

Analyze N'-hydroxy-5-(octan-4-ylamino)pentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide
CID 77026159
N-pentyloctan-4-amine
CID 106023306
5-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026529
N'-hydroxy-5-(2-hydroxypentylamino)pentanimidamide
CID 104867252
N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide
CID 77030148
N'-hydroxy-5-(pent-4-yn-2-ylamino)pentanimidamide
CID 104864264
5-(2-butoxyethylamino)-N'-hydroxypentanimidamide
CID 77030771
5-(but-3-yn-2-ylamino)-N'-hydroxypentanimidamide
CID 104921688
6-[12-(6-hydroxyhexylamino)hexadecan-5-ylamino]hexan-1-ol
CID 11798078
5-butoxy-N'-hydroxypentanimidamide
CID 109374755
N-(5-amino-5-hydroxyiminopentyl)octanamide
CID 77036923
2-(hexylamino)pentan-1-ol
CID 155661034

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(octan-4-ylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(octan-4-ylamino)pentanimidamide (CID 114137651) is N'-hydroxy-5-(octan-4-ylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(octan-4-ylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(octan-4-ylamino)pentanimidamide is CCCCC(CCC)NCCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-(octan-4-ylamino)pentanimidamide?
The InChIKey is HNHUGZNOVZFWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-3-5-9-12(8-4-2)15-11-7-6-10-13(14)16-17/h12,15,17H,3-11H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-5-(octan-4-ylamino)pentanimidamide?
N'-hydroxy-5-(octan-4-ylamino)pentanimidamide has a molecular weight of 243.39 g/mol, XLogP of 2.85, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(octan-4-ylamino)pentanimidamide is sourced from PubChem (CID 114137651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).