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

C13H22N4 — CID 62132381

IUPACN-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(c1nccn1C)C1CC2CCC(C1)N2
InChIInChI=1S/C13H22N4/c1-3-17(13-14-6-7-16(13)2)12-8-10-4-5-11(9-12)15-10/h6-7,10-12,15H,3-5,8-9H2,1-2H3
InChIKeyPTZWRAHXVMQFRH-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.53
Rot. Bonds3

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

N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62132381) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62132381
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(c1nccn1C)C1CC2CCC(C1)N2
InChIInChI=1S/C13H22N4/c1-3-17(13-14-6-7-16(13)2)12-8-10-4-5-11(9-12)15-10/h6-7,10-12,15H,3-5,8-9H2,1-2H3
InChIKeyPTZWRAHXVMQFRH-UHFFFAOYSA-N
XLogP1.53
TPSA33.09 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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62132381) is N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is CCN(c1nccn1C)C1CC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PTZWRAHXVMQFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-17(13-14-6-7-16(13)2)12-8-10-4-5-11(9-12)15-10/h6-7,10-12,15H,3-5,8-9H2,1-2H3.
What are the key properties of N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 234.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62132381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).