N'-hydroxy-3-[methyl(octyl)amino]propanimidamide

C12H27N3O — CID 43129496

IUPACN'-hydroxy-3-[methyl(octyl)amino]propanimidamide
SMILESCCCCCCCCN(C)CC/C(N)=N/O
InChIInChI=1S/C12H27N3O/c1-3-4-5-6-7-8-10-15(2)11-9-12(13)14-16/h16H,3-11H2,1-2H3,(H2,13,14)
InChIKeyPMTKOSPIVOJWQX-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.42
Rot. Bonds10

About N'-hydroxy-3-[methyl(octyl)amino]propanimidamide

N'-hydroxy-3-[methyl(octyl)amino]propanimidamide (PubChem CID 43129496) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(octyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(octyl)amino]propanimidamide
PubChem CID43129496
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN'-hydroxy-3-[methyl(octyl)amino]propanimidamide
SMILESCCCCCCCCN(C)CC/C(N)=N/O
InChIInChI=1S/C12H27N3O/c1-3-4-5-6-7-8-10-15(2)11-9-12(13)14-16/h16H,3-11H2,1-2H3,(H2,13,14)
InChIKeyPMTKOSPIVOJWQX-UHFFFAOYSA-N
XLogP2.42
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
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-[ethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374551
N-(3-amino-3-hydroxyiminopropyl)-N-methylnonanamide
CID 77069088
N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide
CID 76997716
3-[dodecyl(methyl)amino]propanethioamide
CID 63515133
N-methyl-N-nonylundecan-1-amine
CID 603442
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-hexadecyl-N-methylicosan-1-amine
CID 21242596

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(octyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(octyl)amino]propanimidamide (CID 43129496) is N'-hydroxy-3-[methyl(octyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(octyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(octyl)amino]propanimidamide is CCCCCCCCN(C)CC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[methyl(octyl)amino]propanimidamide?
The InChIKey is PMTKOSPIVOJWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-3-4-5-6-7-8-10-15(2)11-9-12(13)14-16/h16H,3-11H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[methyl(octyl)amino]propanimidamide?
N'-hydroxy-3-[methyl(octyl)amino]propanimidamide has a molecular weight of 229.37 g/mol, XLogP of 2.42, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(octyl)amino]propanimidamide is sourced from PubChem (CID 43129496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).