(7S)-12-methyl-12-azabicyclo[5.4.1]dodecane

C12H23N — CID 126565755

IUPAC(7S)-12-methyl-12-azabicyclo[5.4.1]dodecane
SMILESCN1C2CCCCC[C@H]1CCCC2
InChIInChI=1S/C12H23N/c1-13-11-7-3-2-4-8-12(13)10-6-5-9-11/h11-12H,2-10H2,1H3/t11-,12?/m0/s1
InChIKeyVAWONJQVMDWHLR-PXYINDEMSA-N
MW181.32 g/mol
LogP3.19
Rot. Bonds

About (7S)-12-methyl-12-azabicyclo[5.4.1]dodecane

(7S)-12-methyl-12-azabicyclo[5.4.1]dodecane (PubChem CID 126565755) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (7S)-12-methyl-12-azabicyclo[5.4.1]dodecane.

Molecular Properties

Compound Name(7S)-12-methyl-12-azabicyclo[5.4.1]dodecane
PubChem CID126565755
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(7S)-12-methyl-12-azabicyclo[5.4.1]dodecane
SMILESCN1C2CCCCC[C@H]1CCCC2
InChIInChI=1S/C12H23N/c1-13-11-7-3-2-4-8-12(13)10-6-5-9-11/h11-12H,2-10H2,1H3/t11-,12?/m0/s1
InChIKeyVAWONJQVMDWHLR-PXYINDEMSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11-methyl-11-azabicyclo[4.4.1]undecane
CID 580203
methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 157389417
CID 157364506
CID 157364506
8-methyl-8-azabicyclo[3.2.1]octane;2-methylpropane
CID 177033285
(1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane
CID 170097259
10-methyl-10-azatricyclo[9.6.2.12,9]icosane
CID 134213267
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
2-methyl-2,11-diazatricyclo[10.8.2.13,10]tricosane
CID 138644443
10-methyl-2-oxa-10-azatricyclo[9.6.2.13,9]icosane
CID 134213203
9-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 18911
ethane;8-methyl-8-azabicyclo[5.1.0]octane
CID 90889945
1-cyclohexylazetidine;2-methylpropane
CID 178017193

Frequently Asked Questions

What is the IUPAC name of (7S)-12-methyl-12-azabicyclo[5.4.1]dodecane?
The IUPAC name of (7S)-12-methyl-12-azabicyclo[5.4.1]dodecane (CID 126565755) is (7S)-12-methyl-12-azabicyclo[5.4.1]dodecane.
What is the SMILES notation for (7S)-12-methyl-12-azabicyclo[5.4.1]dodecane?
The canonical SMILES for (7S)-12-methyl-12-azabicyclo[5.4.1]dodecane is CN1C2CCCCC[C@H]1CCCC2.
What is the InChIKey of (7S)-12-methyl-12-azabicyclo[5.4.1]dodecane?
The InChIKey is VAWONJQVMDWHLR-PXYINDEMSA-N. The full InChI is InChI=1S/C12H23N/c1-13-11-7-3-2-4-8-12(13)10-6-5-9-11/h11-12H,2-10H2,1H3/t11-,12?/m0/s1.
What are the key properties of (7S)-12-methyl-12-azabicyclo[5.4.1]dodecane?
(7S)-12-methyl-12-azabicyclo[5.4.1]dodecane has a molecular weight of 181.32 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-12-methyl-12-azabicyclo[5.4.1]dodecane is sourced from PubChem (CID 126565755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).