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

C16H28N4 — CID 106574280

IUPAC9-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)Cn1ccnc1NC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H28N4/c1-12(2)11-20-8-7-17-16(20)18-13-9-14-5-4-6-15(10-13)19(14)3/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,17,18)
InChIKeyNBKGAGKGEWZHQM-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.97
Rot. Bonds4

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

9-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 106574280) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 9-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID106574280
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name9-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)Cn1ccnc1NC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H28N4/c1-12(2)11-20-8-7-17-16(20)18-13-9-14-5-4-6-15(10-13)19(14)3/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,17,18)
InChIKeyNBKGAGKGEWZHQM-UHFFFAOYSA-N
XLogP2.97
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 106574280) is 9-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-9-azabicyclo[3.3.1]nonan-3-amine is CC(C)Cn1ccnc1NC1CC2CCCC(C1)N2C.
What is the InChIKey of 9-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is NBKGAGKGEWZHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12(2)11-20-8-7-17-16(20)18-13-9-14-5-4-6-15(10-13)19(14)3/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,17,18).
What are the key properties of 9-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 276.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 106574280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).