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

C14H27N3O — CID 77025236

IUPAC3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC(C)C1CC2CCC1C2
InChIInChI=1S/C14H27N3O/c1-3-12(8-14(15)17-18)16-9(2)13-7-10-4-5-11(13)6-10/h9-13,16,18H,3-8H2,1-2H3,(H2,15,17)
InChIKeyIDFYKYQCOOKSAL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.32
Rot. Bonds6

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

3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypentanimidamide (PubChem CID 77025236) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypentanimidamide
PubChem CID77025236
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC(C)C1CC2CCC1C2
InChIInChI=1S/C14H27N3O/c1-3-12(8-14(15)17-18)16-9(2)13-7-10-4-5-11(13)6-10/h9-13,16,18H,3-8H2,1-2H3,(H2,15,17)
InChIKeyIDFYKYQCOOKSAL-UHFFFAOYSA-N
XLogP2.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypentanimidamide (CID 77025236) is 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NC(C)C1CC2CCC1C2.
What is the InChIKey of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypentanimidamide?
The InChIKey is IDFYKYQCOOKSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-12(8-14(15)17-18)16-9(2)13-7-10-4-5-11(13)6-10/h9-13,16,18H,3-8H2,1-2H3,(H2,15,17).
What are the key properties of 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypentanimidamide?
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N'-hydroxypentanimidamide has a molecular weight of 253.39 g/mol, XLogP of 2.32, 6 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'-hydroxypentanimidamide is sourced from PubChem (CID 77025236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).