1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine

C9H18N2O — CID 114396489

IUPAC1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine
SMILESCON(C)CC1CC2CCC1N2
InChIInChI=1S/C9H18N2O/c1-11(12-2)6-7-5-8-3-4-9(7)10-8/h7-10H,3-6H2,1-2H3
InChIKeyXXZKDNXSUXYFGV-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.62
Rot. Bonds3

About 1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine

1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine (PubChem CID 114396489) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine
PubChem CID114396489
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine
SMILESCON(C)CC1CC2CCC1N2
InChIInChI=1S/C9H18N2O/c1-11(12-2)6-7-5-8-3-4-9(7)10-8/h7-10H,3-6H2,1-2H3
InChIKeyXXZKDNXSUXYFGV-UHFFFAOYSA-N
XLogP0.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(7-Methyl-7-azabicyclo[2.2.1]heptan-2-yl)methanamine
CID 21188422
[5-(Aminomethyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanamine
CID 21301283
[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanamine
CID 55289002
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpropan-2-amine
CID 65505418
1-(7-azabicyclo[2.2.1]heptan-2-yl)-N,N-dimethylmethanamine
CID 65505425
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylethanamine
CID 65505617
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylpropan-1-amine
CID 65505619
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 65505620
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpropan-1-amine
CID 65505801
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N,2-dimethylpropan-1-amine
CID 65505802
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylbutan-2-amine
CID 65505803
N-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethyl-2-methylpropan-1-amine
CID 65505804

Frequently Asked Questions

What is the IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine?
The IUPAC name of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine (CID 114396489) is 1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine.
What is the SMILES notation for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine?
The canonical SMILES for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine is CON(C)CC1CC2CCC1N2.
What is the InChIKey of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine?
The InChIKey is XXZKDNXSUXYFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(12-2)6-7-5-8-3-4-9(7)10-8/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine?
1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine has a molecular weight of 170.26 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-azabicyclo[2.2.1]heptan-2-yl)-N-methoxy-N-methylmethanamine is sourced from PubChem (CID 114396489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).