4-(methylaminomethyl)bicyclo[2.2.2]octan-1-amine

C10H20N2 — CID 70319224

IUPAC4-(methylaminomethyl)bicyclo[2.2.2]octan-1-amine
SMILESCNCC12CCC(N)(CC1)CC2
InChIInChI=1S/C10H20N2/c1-12-8-9-2-5-10(11,6-3-9)7-4-9/h12H,2-8,11H2,1H3
InChIKeySFNKSSKDEVCLFR-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.26
Rot. Bonds2

About 4-(methylaminomethyl)bicyclo[2.2.2]octan-1-amine

4-(methylaminomethyl)bicyclo[2.2.2]octan-1-amine (PubChem CID 70319224) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-(methylaminomethyl)bicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name4-(methylaminomethyl)bicyclo[2.2.2]octan-1-amine
PubChem CID70319224
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4-(methylaminomethyl)bicyclo[2.2.2]octan-1-amine
SMILESCNCC12CCC(N)(CC1)CC2
InChIInChI=1S/C10H20N2/c1-12-8-9-2-5-10(11,6-3-9)7-4-9/h12H,2-8,11H2,1H3
InChIKeySFNKSSKDEVCLFR-UHFFFAOYSA-N
XLogP1.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(methylaminomethyl)bicyclo[2.2.2]octan-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 4-(methylaminomethyl)bicyclo[2.2.2]octan-1-amine?
The IUPAC name of 4-(methylaminomethyl)bicyclo[2.2.2]octan-1-amine (CID 70319224) is 4-(methylaminomethyl)bicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for 4-(methylaminomethyl)bicyclo[2.2.2]octan-1-amine?
The canonical SMILES for 4-(methylaminomethyl)bicyclo[2.2.2]octan-1-amine is CNCC12CCC(N)(CC1)CC2.
What is the InChIKey of 4-(methylaminomethyl)bicyclo[2.2.2]octan-1-amine?
The InChIKey is SFNKSSKDEVCLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-12-8-9-2-5-10(11,6-3-9)7-4-9/h12H,2-8,11H2,1H3.
What are the key properties of 4-(methylaminomethyl)bicyclo[2.2.2]octan-1-amine?
4-(methylaminomethyl)bicyclo[2.2.2]octan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)bicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 70319224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).