(1S)-3-methyl-3-azabicyclo[5.5.0]dodecane

C12H23N — CID 118321451

IUPAC(1S)-3-methyl-3-azabicyclo[5.5.0]dodecane
SMILESCN1CCCC2CCCCC[C@@H]2C1
InChIInChI=1S/C12H23N/c1-13-9-5-8-11-6-3-2-4-7-12(11)10-13/h11-12H,2-10H2,1H3/t11?,12-/m1/s1
InChIKeyDCCQFBYCQDHNEG-PIJUOVFKSA-N
MW181.32 g/mol
LogP2.91
Rot. Bonds

About (1S)-3-methyl-3-azabicyclo[5.5.0]dodecane

(1S)-3-methyl-3-azabicyclo[5.5.0]dodecane (PubChem CID 118321451) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (1S)-3-methyl-3-azabicyclo[5.5.0]dodecane.

Molecular Properties

Compound Name(1S)-3-methyl-3-azabicyclo[5.5.0]dodecane
PubChem CID118321451
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(1S)-3-methyl-3-azabicyclo[5.5.0]dodecane
SMILESCN1CCCC2CCCCC[C@@H]2C1
InChIInChI=1S/C12H23N/c1-13-9-5-8-11-6-3-2-4-7-12(11)10-13/h11-12H,2-10H2,1H3/t11?,12-/m1/s1
InChIKeyDCCQFBYCQDHNEG-PIJUOVFKSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 130417829
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CID 91079408
(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142336980
2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 12847769
ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane
CID 143899908
ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 91339086
(3R)-1,3-dimethylpiperidine
CID 23277968
(3S)-1,3-dimethylpiperidine
CID 637971
3-cyclohexyl-1-(cyclohexylmethyl)piperidine
CID 143571203
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine
CID 83479743
cyclohexylcycloheptane
CID 524589

Frequently Asked Questions

What is the IUPAC name of (1S)-3-methyl-3-azabicyclo[5.5.0]dodecane?
The IUPAC name of (1S)-3-methyl-3-azabicyclo[5.5.0]dodecane (CID 118321451) is (1S)-3-methyl-3-azabicyclo[5.5.0]dodecane.
What is the SMILES notation for (1S)-3-methyl-3-azabicyclo[5.5.0]dodecane?
The canonical SMILES for (1S)-3-methyl-3-azabicyclo[5.5.0]dodecane is CN1CCCC2CCCCC[C@@H]2C1.
What is the InChIKey of (1S)-3-methyl-3-azabicyclo[5.5.0]dodecane?
The InChIKey is DCCQFBYCQDHNEG-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H23N/c1-13-9-5-8-11-6-3-2-4-7-12(11)10-13/h11-12H,2-10H2,1H3/t11?,12-/m1/s1.
What are the key properties of (1S)-3-methyl-3-azabicyclo[5.5.0]dodecane?
(1S)-3-methyl-3-azabicyclo[5.5.0]dodecane has a molecular weight of 181.32 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-methyl-3-azabicyclo[5.5.0]dodecane is sourced from PubChem (CID 118321451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).