3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide

C14H27N3O — CID 55233826

IUPAC3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)CC1CC2CCC1C2
InChIInChI=1S/C14H27N3O/c1-3-13(8-14(15)16-18)17(2)9-12-7-10-4-5-11(12)6-10/h10-13,18H,3-9H2,1-2H3,(H2,15,16)
InChIKeyURMFJMGLGBTMRR-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.27
Rot. Bonds6

About 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide

3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide (PubChem CID 55233826) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide
PubChem CID55233826
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N(C)CC1CC2CCC1C2
InChIInChI=1S/C14H27N3O/c1-3-13(8-14(15)16-18)17(2)9-12-7-10-4-5-11(12)6-10/h10-13,18H,3-9H2,1-2H3,(H2,15,16)
InChIKeyURMFJMGLGBTMRR-UHFFFAOYSA-N
XLogP2.27
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.27
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 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide (CID 55233826) is 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)N(C)CC1CC2CCC1C2.
What is the InChIKey of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is URMFJMGLGBTMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-13(8-14(15)16-18)17(2)9-12-7-10-4-5-11(12)6-10/h10-13,18H,3-9H2,1-2H3,(H2,15,16).
What are the key properties of 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide?
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 253.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 55233826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).