3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide

C13H25N3O — CID 77026460

IUPAC3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNC(C)C1CC2CCC1C2)C(N)=NO
InChIInChI=1S/C13H25N3O/c1-8(13(14)16-17)7-15-9(2)12-6-10-3-4-11(12)5-10/h8-12,15,17H,3-7H2,1-2H3,(H2,14,16)
InChIKeyZQPYPXNINOTGHD-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.78
Rot. Bonds5

About 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide

3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77026460) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID77026460
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNC(C)C1CC2CCC1C2)C(N)=NO
InChIInChI=1S/C13H25N3O/c1-8(13(14)16-17)7-15-9(2)12-6-10-3-4-11(12)5-10/h8-12,15,17H,3-7H2,1-2H3,(H2,14,16)
InChIKeyZQPYPXNINOTGHD-UHFFFAOYSA-N
XLogP1.78
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.78
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

2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369435
2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369534
2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369709
3,3,3-trifluoro-N'-hydroxy-2-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]propanimidamide
CID 103369882
3,3,3-trifluoro-N'-hydroxy-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]propanimidamide
CID 105663880
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 55233826
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxybutanimidamide
CID 55233827
(3Z)-3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxyimino-2-methylpropanamide
CID 61858332
3-[2-Bicyclo[2.2.1]heptanylmethyl(methyl)amino]pentanimidamide
CID 63683310
3-[2-Bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide
CID 63683483
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxybutanimidamide
CID 64326231
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 64328018

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide (CID 77026460) is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide is CC(CNC(C)C1CC2CCC1C2)C(N)=NO.
What is the InChIKey of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is ZQPYPXNINOTGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-8(13(14)16-17)7-15-9(2)12-6-10-3-4-11(12)5-10/h8-12,15,17H,3-7H2,1-2H3,(H2,14,16).
What are the key properties of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 239.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77026460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).