N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide

C9H21N3O — CID 77014154

IUPACN'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide
SMILESCCC(C)(C)N(C)CCC(N)=NO
InChIInChI=1S/C9H21N3O/c1-5-9(2,3)12(4)7-6-8(10)11-13/h13H,5-7H2,1-4H3,(H2,10,11)
InChIKeyDFPCRGXJUZPHFA-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.24
Rot. Bonds5

About N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide

N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide (PubChem CID 77014154) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide
PubChem CID77014154
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide
SMILESCCC(C)(C)N(C)CCC(N)=NO
InChIInChI=1S/C9H21N3O/c1-5-9(2,3)12(4)7-6-8(10)11-13/h13H,5-7H2,1-4H3,(H2,10,11)
InChIKeyDFPCRGXJUZPHFA-UHFFFAOYSA-N
XLogP1.24
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.24
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

3-[methyl(2-methylbutan-2-yl)amino]propanethioamide
CID 63983386
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide
CID 63983390
4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081
3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide
CID 107912397
2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide
CID 65248584
N'-hydroxy-3-[methyl(octyl)amino]propanimidamide
CID 43129496
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2-methylbutan-2-yl)amino]methyl]propanimidamide
CID 103369443
(3-amino-3-hydroxyiminopropyl)-tert-butylcarbamic acid
CID 87562227
5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide
CID 76928038
2-amino-2-methyl-4-[methyl(2-methylbutan-2-yl)amino]butan-1-ol
CID 64791427
5-[ethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374551
3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 43186214

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide (CID 77014154) is N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide is CCC(C)(C)N(C)CCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide?
The InChIKey is DFPCRGXJUZPHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-5-9(2,3)12(4)7-6-8(10)11-13/h13H,5-7H2,1-4H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide?
N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide has a molecular weight of 187.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(2-methylbutan-2-yl)amino]propanimidamide is sourced from PubChem (CID 77014154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).