N-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C15H26N4 — CID 106552097

IUPACN-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCCn1ccnc1N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C15H26N4/c1-3-4-8-19-9-7-16-15(19)18(2)14-10-12-5-6-13(11-14)17-12/h7,9,12-14,17H,3-6,8,10-11H2,1-2H3
InChIKeyJBPQZPPDVWTOCB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.40
Rot. Bonds5

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

N-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 106552097) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID106552097
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCCn1ccnc1N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C15H26N4/c1-3-4-8-19-9-7-16-15(19)18(2)14-10-12-5-6-13(11-14)17-12/h7,9,12-14,17H,3-6,8,10-11H2,1-2H3
InChIKeyJBPQZPPDVWTOCB-UHFFFAOYSA-N
XLogP2.40
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 106552097) is N-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CCCCn1ccnc1N(C)C1CC2CCC(C1)N2.
What is the InChIKey of N-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is JBPQZPPDVWTOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-4-8-19-9-7-16-15(19)18(2)14-10-12-5-6-13(11-14)17-12/h7,9,12-14,17H,3-6,8,10-11H2,1-2H3.
What are the key properties of N-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 106552097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).