8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C13H22N4 — CID 61493403

IUPAC8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1nccn1CCN1C2CCC1CC(N)C2
InChIInChI=1S/C13H22N4/c1-10-15-4-5-16(10)6-7-17-12-2-3-13(17)9-11(14)8-12/h4-5,11-13H,2-3,6-9,14H2,1H3
InChIKeyMMRYWQMDAPBDEL-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.15
Rot. Bonds3

About 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61493403) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61493403
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1nccn1CCN1C2CCC1CC(N)C2
InChIInChI=1S/C13H22N4/c1-10-15-4-5-16(10)6-7-17-12-2-3-13(17)9-11(14)8-12/h4-5,11-13H,2-3,6-9,14H2,1H3
InChIKeyMMRYWQMDAPBDEL-UHFFFAOYSA-N
XLogP1.15
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one
CID 130549375
9-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471446
1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine
CID 56861899
3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
1-(azetidin-3-ylmethyl)-2-methylimidazole
CID 91812453
N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine
CID 115654607
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 62592921
2-methyl-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 62592405
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carbaldehyde
CID 62656814
4-(1-chloroethyl)-1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 106838160

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 61493403) is 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is Cc1nccn1CCN1C2CCC1CC(N)C2.
What is the InChIKey of 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MMRYWQMDAPBDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-15-4-5-16(10)6-7-17-12-2-3-13(17)9-11(14)8-12/h4-5,11-13H,2-3,6-9,14H2,1H3.
What are the key properties of 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 234.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-methylimidazol-1-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61493403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).