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

C18H26N2O2 — CID 171936884

IUPACbenzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate
SMILESCN1C2CCCC1CC(CNC(=O)OCc1ccccc1)C2
InChIInChI=1S/C18H26N2O2/c1-20-16-8-5-9-17(20)11-15(10-16)12-19-18(21)22-13-14-6-3-2-4-7-14/h2-4,6-7,15-17H,5,8-13H2,1H3,(H,19,21)
InChIKeyVKWCHFCBRQHOFR-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.18
Rot. Bonds4

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

benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate (PubChem CID 171936884) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate
PubChem CID171936884
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Namebenzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate
SMILESCN1C2CCCC1CC(CNC(=O)OCc1ccccc1)C2
InChIInChI=1S/C18H26N2O2/c1-20-16-8-5-9-17(20)11-15(10-16)12-19-18(21)22-13-14-6-3-2-4-7-14/h2-4,6-7,15-17H,5,8-13H2,1H3,(H,19,21)
InChIKeyVKWCHFCBRQHOFR-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 59845659
ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate (CID 171936884) is benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate is CN1C2CCCC1CC(CNC(=O)OCc1ccccc1)C2.
What is the InChIKey of benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate?
The InChIKey is VKWCHFCBRQHOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-20-16-8-5-9-17(20)11-15(10-16)12-19-18(21)22-13-14-6-3-2-4-7-14/h2-4,6-7,15-17H,5,8-13H2,1H3,(H,19,21).
What are the key properties of benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate?
benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate has a molecular weight of 302.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate is sourced from PubChem (CID 171936884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).