N-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C17H28N4 — CID 106552193

IUPACN-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=CCn1cc(C)nc1N(CCC)C1CC2CCC(C1)N2
InChIInChI=1S/C17H28N4/c1-4-8-20-12-13(3)18-17(20)21(9-5-2)16-10-14-6-7-15(11-16)19-14/h4,12,14-16,19H,1,5-11H2,2-3H3
InChIKeyMCSUAXPUXFWQGC-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.88
Rot. Bonds6

About N-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 106552193) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID106552193
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=CCn1cc(C)nc1N(CCC)C1CC2CCC(C1)N2
InChIInChI=1S/C17H28N4/c1-4-8-20-12-13(3)18-17(20)21(9-5-2)16-10-14-6-7-15(11-16)19-14/h4,12,14-16,19H,1,5-11H2,2-3H3
InChIKeyMCSUAXPUXFWQGC-UHFFFAOYSA-N
XLogP2.88
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 106552193) is N-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is C=CCn1cc(C)nc1N(CCC)C1CC2CCC(C1)N2.
What is the InChIKey of N-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MCSUAXPUXFWQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-8-20-12-13(3)18-17(20)21(9-5-2)16-10-14-6-7-15(11-16)19-14/h4,12,14-16,19H,1,5-11H2,2-3H3.
What are the key properties of N-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 288.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-prop-2-enylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 106552193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).