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

C16H28N4 — CID 61493402

IUPACN-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(CCn1ccnc1C)C1CC2CCC(C1)N2
InChIInChI=1S/C16H28N4/c1-3-7-20(10-9-19-8-6-17-13(19)2)16-11-14-4-5-15(12-16)18-14/h6,8,14-16,18H,3-5,7,9-12H2,1-2H3
InChIKeyUOISWBBPIRMMDX-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.19
Rot. Bonds6

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

N-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61493402) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61493402
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(CCn1ccnc1C)C1CC2CCC(C1)N2
InChIInChI=1S/C16H28N4/c1-3-7-20(10-9-19-8-6-17-13(19)2)16-11-14-4-5-15(12-16)18-14/h6,8,14-16,18H,3-5,7,9-12H2,1-2H3
InChIKeyUOISWBBPIRMMDX-UHFFFAOYSA-N
XLogP2.19
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61493402) is N-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(CCn1ccnc1C)C1CC2CCC(C1)N2.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is UOISWBBPIRMMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-7-20(10-9-19-8-6-17-13(19)2)16-11-14-4-5-15(12-16)18-14/h6,8,14-16,18H,3-5,7,9-12H2,1-2H3.
What are the key properties of N-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 276.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61493402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).