2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide

C12H23N3O — CID 77017039

IUPAC2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)CC1CC2CCC1C2
InChIInChI=1S/C12H23N3O/c1-8(12(13)14-16)15(2)7-11-6-9-3-4-10(11)5-9/h8-11,16H,3-7H2,1-2H3,(H2,13,14)
InChIKeyLBMMPTDPKQXGMK-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.49
Rot. Bonds4

About 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide

2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide (PubChem CID 77017039) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide
PubChem CID77017039
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)CC1CC2CCC1C2
InChIInChI=1S/C12H23N3O/c1-8(12(13)14-16)15(2)7-11-6-9-3-4-10(11)5-9/h8-11,16H,3-7H2,1-2H3,(H2,13,14)
InChIKeyLBMMPTDPKQXGMK-UHFFFAOYSA-N
XLogP1.49
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide (CID 77017039) is 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(C)CC1CC2CCC1C2.
What is the InChIKey of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is LBMMPTDPKQXGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-8(12(13)14-16)15(2)7-11-6-9-3-4-10(11)5-9/h8-11,16H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide?
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 225.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77017039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).