3-(tert-butylamino)-N'-hydroxypropanimidamide

C7H17N3O — CID 54847460

IUPAC3-(tert-butylamino)-N'-hydroxypropanimidamide
SMILESCC(C)(C)NCC/C(N)=N\O
InChIInChI=1S/C7H17N3O/c1-7(2,3)9-5-4-6(8)10-11/h9,11H,4-5H2,1-3H3,(H2,8,10)
InChIKeyODZWCELZMYKZEO-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.51
Rot. Bonds3

About 3-(tert-butylamino)-N'-hydroxypropanimidamide

3-(tert-butylamino)-N'-hydroxypropanimidamide (PubChem CID 54847460) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(tert-butylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N'-hydroxypropanimidamide
PubChem CID54847460
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name3-(tert-butylamino)-N'-hydroxypropanimidamide
SMILESCC(C)(C)NCC/C(N)=N\O
InChIInChI=1S/C7H17N3O/c1-7(2,3)9-5-4-6(8)10-11/h9,11H,4-5H2,1-3H3,(H2,8,10)
InChIKeyODZWCELZMYKZEO-UHFFFAOYSA-N
XLogP0.51
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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': '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

ethane, 1-(N-hydroxy)amidino-2-methylamino-
CID 74051067
butane, 1-[2-(N-hydroxy)amidinoethyl]amino-
CID 74051068
3-Ethylamino-3-methylbutan-2-one oxime
CID 76223969
(NE)-N-[3-(ethylamino)-3-methylbutan-2-ylidene]hydroxylamine
CID 55286368
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylbutan-2-ylamino)methyl]propanimidamide
CID 103369473
2-[(tert-butylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369566
(NE)-N-[3-(3-aminopropylamino)-3-methylbutan-2-ylidene]hydroxylamine
CID 11789697
N'-hydroxy-3-(methylamino)propanimidamide
CID 12551336
3-(diethylamino)-N'-hydroxypropanimidamide
CID 16775726
(Z)-N'-Hydroxy-3-(methylamino)propanimidamide
CID 23423676
CID 30046520
CID 30046520
3-(diethylamino)N'-hydroxypropanimidamide
CID 57360605

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(tert-butylamino)-N'-hydroxypropanimidamide (CID 54847460) is 3-(tert-butylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(tert-butylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(tert-butylamino)-N'-hydroxypropanimidamide is CC(C)(C)NCC/C(N)=N\O.
What is the InChIKey of 3-(tert-butylamino)-N'-hydroxypropanimidamide?
The InChIKey is ODZWCELZMYKZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-7(2,3)9-5-4-6(8)10-11/h9,11H,4-5H2,1-3H3,(H2,8,10).
What are the key properties of 3-(tert-butylamino)-N'-hydroxypropanimidamide?
3-(tert-butylamino)-N'-hydroxypropanimidamide has a molecular weight of 159.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 54847460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).