N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide

C16H35N3O — CID 76997716

IUPACN'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide
SMILESCCCCCCCCCN(CCC(N)=NO)CC(C)C
InChIInChI=1S/C16H35N3O/c1-4-5-6-7-8-9-10-12-19(14-15(2)3)13-11-16(17)18-20/h15,20H,4-14H2,1-3H3,(H2,17,18)
InChIKeyDOWOUHAXBRSJAV-UHFFFAOYSA-N
MW285.48 g/mol
LogP3.83
Rot. Bonds13

About N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide

N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide (PubChem CID 76997716) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide
PubChem CID76997716
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC NameN'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide
SMILESCCCCCCCCCN(CCC(N)=NO)CC(C)C
InChIInChI=1S/C16H35N3O/c1-4-5-6-7-8-9-10-12-19(14-15(2)3)13-11-16(17)18-20/h15,20H,4-14H2,1-3H3,(H2,17,18)
InChIKeyDOWOUHAXBRSJAV-UHFFFAOYSA-N
XLogP3.83
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 53.83
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

3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917226
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
3-[2-ethylhexyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917559
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide
CID 77069051
N'-hydroxy-3-[methyl(octyl)amino]propanimidamide
CID 43129496
N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide
CID 76937907
N'-hydroxy-3-[2-methylbutyl(2-methylpropyl)amino]propanimidamide
CID 76935617
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104863480

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide (CID 76997716) is N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide is CCCCCCCCCN(CCC(N)=NO)CC(C)C.
What is the InChIKey of N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide?
The InChIKey is DOWOUHAXBRSJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-4-5-6-7-8-9-10-12-19(14-15(2)3)13-11-16(17)18-20/h15,20H,4-14H2,1-3H3,(H2,17,18).
What are the key properties of N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide?
N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide has a molecular weight of 285.48 g/mol, XLogP of 3.83, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide is sourced from PubChem (CID 76997716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).