tert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate

C19H32N4O2 — CID 126810940

IUPACtert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC2CCCC(C1)C2NCCn1ccnc1
InChIInChI=1S/C19H32N4O2/c1-19(2,3)25-18(24)22-16-11-14-5-4-6-15(12-16)17(14)21-8-10-23-9-7-20-13-23/h7,9,13-17,21H,4-6,8,10-12H2,1-3H3,(H,22,24)
InChIKeyPGDHFXRVZYUTSZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.94
Rot. Bonds5

About tert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate

tert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate (PubChem CID 126810940) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate
PubChem CID126810940
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Nametert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC2CCCC(C1)C2NCCn1ccnc1
InChIInChI=1S/C19H32N4O2/c1-19(2,3)25-18(24)22-16-11-14-5-4-6-15(12-16)17(14)21-8-10-23-9-7-20-13-23/h7,9,13-17,21H,4-6,8,10-12H2,1-3H3,(H,22,24)
InChIKeyPGDHFXRVZYUTSZ-UHFFFAOYSA-N
XLogP2.94
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate 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 tert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate?
The IUPAC name of tert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate (CID 126810940) is tert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate.
What is the SMILES notation for tert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate?
The canonical SMILES for tert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate is CC(C)(C)OC(=O)NC1CC2CCCC(C1)C2NCCn1ccnc1.
What is the InChIKey of tert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate?
The InChIKey is PGDHFXRVZYUTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-19(2,3)25-18(24)22-16-11-14-5-4-6-15(12-16)17(14)21-8-10-23-9-7-20-13-23/h7,9,13-17,21H,4-6,8,10-12H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate?
tert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate has a molecular weight of 348.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[9-(2-imidazol-1-ylethylamino)-3-bicyclo[3.3.1]nonanyl]carbamate is sourced from PubChem (CID 126810940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).