8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide

C11H21N3O — CID 67435897

IUPAC8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESNCCCN1C2CCC1CC(C(N)=O)C2
InChIInChI=1S/C11H21N3O/c12-4-1-5-14-9-2-3-10(14)7-8(6-9)11(13)15/h8-10H,1-7,12H2,(H2,13,15)
InChIKeyACWYIQYSCGYDLQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.06
Rot. Bonds4

About 8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide

8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 67435897) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID67435897
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESNCCCN1C2CCC1CC(C(N)=O)C2
InChIInChI=1S/C11H21N3O/c12-4-1-5-14-9-2-3-10(14)7-8(6-9)11(13)15/h8-10H,1-7,12H2,(H2,13,15)
InChIKeyACWYIQYSCGYDLQ-UHFFFAOYSA-N
XLogP0.06
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of 8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide (CID 67435897) is 8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for 8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for 8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide is NCCCN1C2CCC1CC(C(N)=O)C2.
What is the InChIKey of 8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is ACWYIQYSCGYDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c12-4-1-5-14-9-2-3-10(14)7-8(6-9)11(13)15/h8-10H,1-7,12H2,(H2,13,15).
What are the key properties of 8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide?
8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 211.31 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopropyl)-8-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 67435897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).