N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C16H28N4O — CID 106574276

IUPACN-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCOCCn1cc(C)nc1NC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H28N4O/c1-12-11-20(7-8-21-3)16(17-12)18-13-9-14-5-4-6-15(10-13)19(14)2/h11,13-15H,4-10H2,1-3H3,(H,17,18)
InChIKeyCJSUHHJUXOVIAS-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.27
Rot. Bonds5

About N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 106574276) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID106574276
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCOCCn1cc(C)nc1NC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H28N4O/c1-12-11-20(7-8-21-3)16(17-12)18-13-9-14-5-4-6-15(10-13)19(14)2/h11,13-15H,4-10H2,1-3H3,(H,17,18)
InChIKeyCJSUHHJUXOVIAS-UHFFFAOYSA-N
XLogP2.27
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

N-cyclopentyl-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554862
1-(2-methoxyethyl)-4-methyl-N-(4-methylcyclohexyl)imidazol-2-amine
CID 106560145
1-(2-methoxyethyl)-4-methyl-N-(oxolan-3-yl)imidazol-2-amine
CID 106577277
N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1,2-dimethylpiperidin-4-amine
CID 106578397
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952
N-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106562574
1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine
CID 106561751
N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-propylpiperidin-4-amine
CID 106568414
N-(2-ethylcyclohexyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106568150
N-(2,2-dimethyloxan-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106578749
1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine
CID 106582144
N-(2-cyclopentyloxyethyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106573155

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 106574276) is N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is COCCn1cc(C)nc1NC1CC2CCCC(C1)N2C.
What is the InChIKey of N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is CJSUHHJUXOVIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12-11-20(7-8-21-3)16(17-12)18-13-9-14-5-4-6-15(10-13)19(14)2/h11,13-15H,4-10H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 292.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 106574276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).