(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

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Related Compounds

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)butan-1-amine
CID 79969201
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-methylphenyl)ethanamine
CID 79974405
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-fluorophenyl)ethanamine
CID 79968785
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pentylhydrazine
CID 105249829
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-methylpentan-1-ol
CID 107892993
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethylbutan-1-amine
CID 79973669
N-[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethyl]propan-1-amine
CID 79974093
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 79974141
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 79973730
2-(5-chlorothiophen-2-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 79970087
2-(5-bromothiophen-2-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 79970216
2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanamine
CID 79960425

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).