3-(butylamino)-N'-hydroxypropanimidamide

C7H17N3O — CID 74051068

IUPAC3-(butylamino)-N'-hydroxypropanimidamide
SMILESCCCCNCCC(N)=NO
InChIInChI=1S/C7H17N3O/c1-2-3-5-9-6-4-7(8)10-11/h9,11H,2-6H2,1H3,(H2,8,10)
InChIKeyYHXOIFSKMTXDGR-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.51
Rot. Bonds6

About 3-(butylamino)-N'-hydroxypropanimidamide

3-(butylamino)-N'-hydroxypropanimidamide (PubChem CID 74051068) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(butylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(butylamino)-N'-hydroxypropanimidamide
PubChem CID74051068
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name3-(butylamino)-N'-hydroxypropanimidamide
SMILESCCCCNCCC(N)=NO
InChIInChI=1S/C7H17N3O/c1-2-3-5-9-6-4-7(8)10-11/h9,11H,2-6H2,1H3,(H2,8,10)
InChIKeyYHXOIFSKMTXDGR-UHFFFAOYSA-N
XLogP0.51
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.51
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 3-(butylamino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(butylamino)-N'-hydroxypropanimidamide (CID 74051068) is 3-(butylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(butylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(butylamino)-N'-hydroxypropanimidamide is CCCCNCCC(N)=NO.
What is the InChIKey of 3-(butylamino)-N'-hydroxypropanimidamide?
The InChIKey is YHXOIFSKMTXDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-2-3-5-9-6-4-7(8)10-11/h9,11H,2-6H2,1H3,(H2,8,10).
What are the key properties of 3-(butylamino)-N'-hydroxypropanimidamide?
3-(butylamino)-N'-hydroxypropanimidamide has a molecular weight of 159.23 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 74051068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).