(1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine

C9H19N3 — CID 104932147

IUPAC(1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine
SMILESCC[C@@H](N)C1CN2CCN1CC2
InChIInChI=1S/C9H19N3/c1-2-8(10)9-7-11-3-5-12(9)6-4-11/h8-9H,2-7,10H2,1H3/t8-,9?/m1/s1
InChIKeyFMVCKXXCVQJBDQ-VEDVMXKPSA-N
MW169.27 g/mol
LogP-0.28
Rot. Bonds2

About (1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine

(1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine (PubChem CID 104932147) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine
PubChem CID104932147
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine
SMILESCC[C@@H](N)C1CN2CCN1CC2
InChIInChI=1S/C9H19N3/c1-2-8(10)9-7-11-3-5-12(9)6-4-11/h8-9H,2-7,10H2,1H3/t8-,9?/m1/s1
InChIKeyFMVCKXXCVQJBDQ-VEDVMXKPSA-N
XLogP-0.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine?
The IUPAC name of (1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine (CID 104932147) is (1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine.
What is the SMILES notation for (1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine?
The canonical SMILES for (1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine is CC[C@@H](N)C1CN2CCN1CC2.
What is the InChIKey of (1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine?
The InChIKey is FMVCKXXCVQJBDQ-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H19N3/c1-2-8(10)9-7-11-3-5-12(9)6-4-11/h8-9H,2-7,10H2,1H3/t8-,9?/m1/s1.
What are the key properties of (1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine?
(1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine has a molecular weight of 169.27 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)propan-1-amine is sourced from PubChem (CID 104932147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).