N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide

C10H23N3O — CID 76915771

IUPACN'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide
SMILESCCCN(C(C)C)C(CC)C(N)=NO
InChIInChI=1S/C10H23N3O/c1-5-7-13(8(3)4)9(6-2)10(11)12-14/h8-9,14H,5-7H2,1-4H3,(H2,11,12)
InChIKeyPMJBPSFJSKDDJP-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.63
Rot. Bonds6

About N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide

N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide (PubChem CID 76915771) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide
PubChem CID76915771
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC NameN'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide
SMILESCCCN(C(C)C)C(CC)C(N)=NO
InChIInChI=1S/C10H23N3O/c1-5-7-13(8(3)4)9(6-2)10(11)12-14/h8-9,14H,5-7H2,1-4H3,(H2,11,12)
InChIKeyPMJBPSFJSKDDJP-UHFFFAOYSA-N
XLogP1.63
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

2-(dipropylamino)-N'-hydroxybutanimidamide
CID 76915523
N'-hydroxy-3-[propan-2-yl(propyl)amino]pentanimidamide
CID 43269637
N'-hydroxy-2-[methyl(3-methylbutyl)amino]butanimidamide
CID 76915778
N'-hydroxy-2-[methyl(pentan-3-yl)amino]butanimidamide
CID 76915773
2-(N'-hydroxycarbamimidoyl)-N-propan-2-yl-N-propylbutanamide
CID 76924759
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxybutanimidamide
CID 76915624
3-amino-2-[propan-2-yl(propyl)amino]propanoic acid
CID 64695014
N'-hydroxy-3-[pentyl(propan-2-yl)amino]butanimidamide
CID 76911929
3-amino-2-[propan-2-yl(propyl)amino]pentan-1-ol
CID 104840311
2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77044960
3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol
CID 104710820
2-amino-N'-hydroxybutanimidamide
CID 14024494

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide (CID 76915771) is N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide is CCCN(C(C)C)C(CC)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide?
The InChIKey is PMJBPSFJSKDDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-5-7-13(8(3)4)9(6-2)10(11)12-14/h8-9,14H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide?
N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide has a molecular weight of 201.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide is sourced from PubChem (CID 76915771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).