9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

C16H28N4 — CID 66162393

IUPAC9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)n1cncc1CNC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H28N4/c1-12(2)20-11-17-9-16(20)10-18-13-7-14-5-4-6-15(8-13)19(14)3/h9,11-15,18H,4-8,10H2,1-3H3
InChIKeyJHVJANUJKPGERS-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.57
Rot. Bonds4

About 9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 66162393) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID66162393
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(C)n1cncc1CNC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H28N4/c1-12(2)20-11-17-9-16(20)10-18-13-7-14-5-4-6-15(8-13)19(14)3/h9,11-15,18H,4-8,10H2,1-3H3
InChIKeyJHVJANUJKPGERS-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 66162393) is 9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is CC(C)n1cncc1CNC1CC2CCCC(C1)N2C.
What is the InChIKey of 9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is JHVJANUJKPGERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12(2)20-11-17-9-16(20)10-18-13-7-14-5-4-6-15(8-13)19(14)3/h9,11-15,18H,4-8,10H2,1-3H3.
What are the key properties of 9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 276.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 66162393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).