N'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide

C9H21N3O — CID 77025220

IUPACN'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide
SMILESCC(C)CCNCC(C)C(N)=NO
InChIInChI=1S/C9H21N3O/c1-7(2)4-5-11-6-8(3)9(10)12-13/h7-8,11,13H,4-6H2,1-3H3,(H2,10,12)
InChIKeyUGOKPTXBFBDQAT-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.00
Rot. Bonds6

About N'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide

N'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide (PubChem CID 77025220) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide
PubChem CID77025220
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide
SMILESCC(C)CCNCC(C)C(N)=NO
InChIInChI=1S/C9H21N3O/c1-7(2)4-5-11-6-8(3)9(10)12-13/h7-8,11,13H,4-6H2,1-3H3,(H2,10,12)
InChIKeyUGOKPTXBFBDQAT-UHFFFAOYSA-N
XLogP1.00
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.00
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide (CID 77025220) is N'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide is CC(C)CCNCC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide?
The InChIKey is UGOKPTXBFBDQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-7(2)4-5-11-6-8(3)9(10)12-13/h7-8,11,13H,4-6H2,1-3H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide?
N'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide has a molecular weight of 187.29 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(3-methylbutylamino)propanimidamide is sourced from PubChem (CID 77025220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).