1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine

C13H21N3 — CID 106575477

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine
SMILESCCNc1nc(C)cn1C1CC2CCC1C2
InChIInChI=1S/C13H21N3/c1-3-14-13-15-9(2)8-16(13)12-7-10-4-5-11(12)6-10/h8,10-12H,3-7H2,1-2H3,(H,14,15)
InChIKeyTYHISUPAYTZDNK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.98
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine (PubChem CID 106575477) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine
PubChem CID106575477
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine
SMILESCCNc1nc(C)cn1C1CC2CCC1C2
InChIInChI=1S/C13H21N3/c1-3-14-13-15-9(2)8-16(13)12-7-10-4-5-11(12)6-10/h8,10-12H,3-7H2,1-2H3,(H,14,15)
InChIKeyTYHISUPAYTZDNK-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-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 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine (CID 106575477) is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine is CCNc1nc(C)cn1C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine?
The InChIKey is TYHISUPAYTZDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-14-13-15-9(2)8-16(13)12-7-10-4-5-11(12)6-10/h8,10-12H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106575477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).