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

C16H31N3 — CID 65470274

IUPAC9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1CCCCC1CNC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H31N3/c1-18-9-4-3-6-16(18)12-17-13-10-14-7-5-8-15(11-13)19(14)2/h13-17H,3-12H2,1-2H3
InChIKeyIJCVIROJQCPCAR-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.08
Rot. Bonds3

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

9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65470274) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65470274
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1CCCCC1CNC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H31N3/c1-18-9-4-3-6-16(18)12-17-13-10-14-7-5-8-15(11-13)19(14)2/h13-17H,3-12H2,1-2H3
InChIKeyIJCVIROJQCPCAR-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]cyclohexan-1-amine
CID 64752221
N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472545
1-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]piperidin-4-amine
CID 62659058
3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
CID 104871157
1-methyl-N-[(1-methylpiperidin-2-yl)methyl]piperidin-3-amine
CID 62656973
tert-butyl N-[3-[(1-methylpiperidin-2-yl)methylamino]cyclobutyl]carbamate
CID 80560787
N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine
CID 115688929
1,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine
CID 115712513
4-[(1-methylpyrrolidin-2-yl)methylamino]cyclohexan-1-ol
CID 58858777
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
CID 103626242

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 65470274) is 9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is CN1CCCCC1CNC1CC2CCCC(C1)N2C.
What is the InChIKey of 9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is IJCVIROJQCPCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-18-9-4-3-6-16(18)12-17-13-10-14-7-5-8-15(11-13)19(14)2/h13-17H,3-12H2,1-2H3.
What are the key properties of 9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 265.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65470274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).