2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide

C11H21N3O — CID 77027648

IUPAC2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide
SMILESCC(NCC1CC2CCC1C2)C(N)=NO
InChIInChI=1S/C11H21N3O/c1-7(11(12)14-15)13-6-10-5-8-2-3-9(10)4-8/h7-10,13,15H,2-6H2,1H3,(H2,12,14)
InChIKeyQXLZHWCSWLWKQF-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.15
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide

2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide (PubChem CID 77027648) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide
PubChem CID77027648
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide
SMILESCC(NCC1CC2CCC1C2)C(N)=NO
InChIInChI=1S/C11H21N3O/c1-7(11(12)14-15)13-6-10-5-8-2-3-9(10)4-8/h7-10,13,15H,2-6H2,1H3,(H2,12,14)
InChIKeyQXLZHWCSWLWKQF-UHFFFAOYSA-N
XLogP1.15
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.15
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

3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide
CID 63681793
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938569
(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine
CID 81385495
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine
CID 79552439
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylsulfanylbutan-1-ol
CID 104694028
5-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypentanimidamide
CID 77028264
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 79555022
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine
CID 104694131
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbutanamide
CID 55231649
ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate
CID 55232433
1-(2-bicyclo[2.2.1]heptanyl)-3,4-dimethylpentan-2-amine
CID 105012891

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide (CID 77027648) is 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide is CC(NCC1CC2CCC1C2)C(N)=NO.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide?
The InChIKey is QXLZHWCSWLWKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(11(12)14-15)13-6-10-5-8-2-3-9(10)4-8/h7-10,13,15H,2-6H2,1H3,(H2,12,14).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide?
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide has a molecular weight of 211.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 77027648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).