N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

C14H24N4 — CID 63293406

IUPACN-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2Cc1nccn1C
InChIInChI=1S/C14H24N4/c1-15-11-8-12-4-3-5-13(9-11)18(12)10-14-16-6-7-17(14)2/h6-7,11-13,15H,3-5,8-10H2,1-2H3
InChIKeyMMYNVOCMWMARSJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.52
Rot. Bonds3

About N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 63293406) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID63293406
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2Cc1nccn1C
InChIInChI=1S/C14H24N4/c1-15-11-8-12-4-3-5-13(9-11)18(12)10-14-16-6-7-17(14)2/h6-7,11-13,15H,3-5,8-10H2,1-2H3
InChIKeyMMYNVOCMWMARSJ-UHFFFAOYSA-N
XLogP1.52
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-9-[2-(1-methylimidazol-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106274
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 63295696
9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106302599
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
(1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 133117917
N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 103011730
1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530243
N-ethyl-3-(2-propylimidazol-1-yl)cyclohexan-1-amine
CID 79619406
(1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81386227
1-(3-ethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79761386
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65080394

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 63293406) is N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2Cc1nccn1C.
What is the InChIKey of N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is MMYNVOCMWMARSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-15-11-8-12-4-3-5-13(9-11)18(12)10-14-16-6-7-17(14)2/h6-7,11-13,15H,3-5,8-10H2,1-2H3.
What are the key properties of N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 248.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 63293406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).