methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate

C11H20N2O2 — CID 115661200

IUPACmethyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
SMILESCOC(=O)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C11H20N2O2/c1-13-9-4-3-5-10(13)7-8(6-9)12-11(14)15-2/h8-10H,3-7H2,1-2H3,(H,12,14)
InChIKeyAFFJPRUVFMPDGI-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.36
Rot. Bonds1

About methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate

methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate (PubChem CID 115661200) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
PubChem CID115661200
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
SMILESCOC(=O)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C11H20N2O2/c1-13-9-4-3-5-10(13)7-8(6-9)12-11(14)15-2/h8-10H,3-7H2,1-2H3,(H,12,14)
InChIKeyAFFJPRUVFMPDGI-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate with MolForge

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Related Compounds

Ethyl 4-(cyclooctylamino)-1-piperidinecarboxylate
CID 2059342
Tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 23283006
tert-butyl N-(9-azabicyclo(3.3.1)nonan-3-yl)carbamate
CID 45792693
tert-butyl (1S,2R,3R,5R)-2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 154676235
tert-butyl (1R,2S,3S,5S)-2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 154676258
2-Fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 155047508
(1R,2S,3S,5S)-2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 155047528
tert-butyl (2S,3S)-2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 169664842
tert-butyl (2R,3R)-2-fluoro-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 169664843
2,2,2-trifluoroethyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 65470343
methyl N-(1-methylpiperidin-4-yl)carbamate
CID 18337137
methyl N-hexyl-N-piperidin-4-ylcarbamate
CID 18372811

Frequently Asked Questions

What is the IUPAC name of methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate?
The IUPAC name of methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate (CID 115661200) is methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate.
What is the SMILES notation for methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate?
The canonical SMILES for methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate is COC(=O)NC1CC2CCCC(C1)N2C.
What is the InChIKey of methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate?
The InChIKey is AFFJPRUVFMPDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13-9-4-3-5-10(13)7-8(6-9)12-11(14)15-2/h8-10H,3-7H2,1-2H3,(H,12,14).
What are the key properties of methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate?
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate has a molecular weight of 212.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate is sourced from PubChem (CID 115661200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).