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

C8H19N3O — CID 77025219

IUPACN'-hydroxy-3-(3-methylbutylamino)propanimidamide
SMILESCC(C)CCNCCC(N)=NO
InChIInChI=1S/C8H19N3O/c1-7(2)3-5-10-6-4-8(9)11-12/h7,10,12H,3-6H2,1-2H3,(H2,9,11)
InChIKeyLDUNWUGRLPQVTR-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.76
Rot. Bonds6

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

N'-hydroxy-3-(3-methylbutylamino)propanimidamide (PubChem CID 77025219) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is N'-hydroxy-3-(3-methylbutylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-methylbutylamino)propanimidamide
PubChem CID77025219
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC NameN'-hydroxy-3-(3-methylbutylamino)propanimidamide
SMILESCC(C)CCNCCC(N)=NO
InChIInChI=1S/C8H19N3O/c1-7(2)3-5-10-6-4-8(9)11-12/h7,10,12H,3-6H2,1-2H3,(H2,9,11)
InChIKeyLDUNWUGRLPQVTR-UHFFFAOYSA-N
XLogP0.76
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.76
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-3-(3-methylbutylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(3-methylbutylamino)propanimidamide (CID 77025219) is N'-hydroxy-3-(3-methylbutylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-methylbutylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-methylbutylamino)propanimidamide is CC(C)CCNCCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-(3-methylbutylamino)propanimidamide?
The InChIKey is LDUNWUGRLPQVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-7(2)3-5-10-6-4-8(9)11-12/h7,10,12H,3-6H2,1-2H3,(H2,9,11).
What are the key properties of N'-hydroxy-3-(3-methylbutylamino)propanimidamide?
N'-hydroxy-3-(3-methylbutylamino)propanimidamide has a molecular weight of 173.26 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-methylbutylamino)propanimidamide is sourced from PubChem (CID 77025219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).