1-(2-azabicyclo[2.1.1]hexan-1-yl)-N-methylmethanamine

C7H14N2 — CID 138702131

IUPAC1-(2-azabicyclo[2.1.1]hexan-1-yl)-N-methylmethanamine
SMILESCNCC12CC(CN1)C2
InChIInChI=1S/C7H14N2/c1-8-5-7-2-6(3-7)4-9-7/h6,8-9H,2-5H2,1H3
InChIKeyGMYNYKQQIYZNFF-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.04
Rot. Bonds2

About 1-(2-azabicyclo[2.1.1]hexan-1-yl)-N-methylmethanamine

1-(2-azabicyclo[2.1.1]hexan-1-yl)-N-methylmethanamine (PubChem CID 138702131) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.1.1]hexan-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-azabicyclo[2.1.1]hexan-1-yl)-N-methylmethanamine
PubChem CID138702131
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-(2-azabicyclo[2.1.1]hexan-1-yl)-N-methylmethanamine
SMILESCNCC12CC(CN1)C2
InChIInChI=1S/C7H14N2/c1-8-5-7-2-6(3-7)4-9-7/h6,8-9H,2-5H2,1H3
InChIKeyGMYNYKQQIYZNFF-UHFFFAOYSA-N
XLogP-0.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.1.1]hexan-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-azabicyclo[2.1.1]hexan-1-yl)-N-methylmethanamine (CID 138702131) is 1-(2-azabicyclo[2.1.1]hexan-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-azabicyclo[2.1.1]hexan-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-azabicyclo[2.1.1]hexan-1-yl)-N-methylmethanamine is CNCC12CC(CN1)C2.
What is the InChIKey of 1-(2-azabicyclo[2.1.1]hexan-1-yl)-N-methylmethanamine?
The InChIKey is GMYNYKQQIYZNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-8-5-7-2-6(3-7)4-9-7/h6,8-9H,2-5H2,1H3.
What are the key properties of 1-(2-azabicyclo[2.1.1]hexan-1-yl)-N-methylmethanamine?
1-(2-azabicyclo[2.1.1]hexan-1-yl)-N-methylmethanamine has a molecular weight of 126.20 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.1.1]hexan-1-yl)-N-methylmethanamine is sourced from PubChem (CID 138702131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).