2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine

C10H21N3 — CID 19108409

IUPAC2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCN(C)CC1C(N)C2CCN1CC2
InChIInChI=1S/C10H21N3/c1-12(2)7-9-10(11)8-3-5-13(9)6-4-8/h8-10H,3-7,11H2,1-2H3
InChIKeyVUOSEEJDRPBBMO-UHFFFAOYSA-N
MW183.30 g/mol
LogP-0.03
Rot. Bonds2

About 2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine

2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 19108409) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID19108409
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCN(C)CC1C(N)C2CCN1CC2
InChIInChI=1S/C10H21N3/c1-12(2)7-9-10(11)8-3-5-13(9)6-4-8/h8-10H,3-7,11H2,1-2H3
InChIKeyVUOSEEJDRPBBMO-UHFFFAOYSA-N
XLogP-0.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 19108409) is 2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine is CN(C)CC1C(N)C2CCN1CC2.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is VUOSEEJDRPBBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-12(2)7-9-10(11)8-3-5-13(9)6-4-8/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 183.30 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 19108409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).