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

C14H24N4 — CID 62739170

IUPAC8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2C(C)Cn1ccnc1
InChIInChI=1S/C14H24N4/c1-11(9-17-6-5-16-10-17)18-13-3-4-14(18)8-12(7-13)15-2/h5-6,10-15H,3-4,7-9H2,1-2H3
InChIKeyHLDAARBQHKBBIZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.49
Rot. Bonds4

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

8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739170) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739170
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2C(C)Cn1ccnc1
InChIInChI=1S/C14H24N4/c1-11(9-17-6-5-16-10-17)18-13-3-4-14(18)8-12(7-13)15-2/h5-6,10-15H,3-4,7-9H2,1-2H3
InChIKeyHLDAARBQHKBBIZ-UHFFFAOYSA-N
XLogP1.49
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-8-(1-imidazol-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739342
N-(1-imidazol-1-ylpropan-2-yl)-3-methylcyclobutan-1-amine
CID 104859674
N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
CID 43435651
N-(3-imidazol-1-yl-2-methylpropyl)-3-methylcyclopentan-1-amine
CID 115652890
N-(3-imidazol-1-yl-2-methylpropyl)cyclohexanamine;hydrochloride
CID 91663022
[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine
CID 61482680
N-(1-imidazol-1-ylpropan-2-yl)thiolan-3-amine
CID 43749649
2-[4-[[(2R)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 95134639
N-[[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62511796
N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738316
1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea
CID 47229107
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 94049873

Frequently Asked Questions

What is the IUPAC name of 8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62739170) is 8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2C(C)Cn1ccnc1.
What is the InChIKey of 8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is HLDAARBQHKBBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(9-17-6-5-16-10-17)18-13-3-4-14(18)8-12(7-13)15-2/h5-6,10-15H,3-4,7-9H2,1-2H3.
What are the key properties of 8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 248.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-imidazol-1-ylpropan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).