3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane

C13H21N — CID 44590878

IUPAC3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane
SMILESCN1CC2C3CC4CC(C3)CC2(C4)C1
InChIInChI=1S/C13H21N/c1-14-7-12-11-3-9-2-10(4-11)6-13(12,5-9)8-14/h9-12H,2-8H2,1H3
InChIKeyLLPCALMYDFOSIQ-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.37
Rot. Bonds

About 3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane

3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane (PubChem CID 44590878) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane.

Molecular Properties

Compound Name3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane
PubChem CID44590878
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane
SMILESCN1CC2C3CC4CC(C3)CC2(C4)C1
InChIInChI=1S/C13H21N/c1-14-7-12-11-3-9-2-10(4-11)6-13(12,5-9)8-14/h9-12H,2-8H2,1H3
InChIKeyLLPCALMYDFOSIQ-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Azatetracyclo[6.3.1.16,10.01,5]tridecane
CID 25015532
1-Ethyldecahydro-3a,7:5,9-dimethano-3aH-cycloocta[b]pyrrole
CID 44590876
4-Methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane
CID 44590877
1'-Methylspiro[adamantane-2,3'-pyrrolidine]
CID 64296
1'-Isopropylspiro[adamantane-2,3'-pyrrolidine]
CID 3009948
2-Cyclohexyl-5-methyloctahydro-1H-isoindole
CID 47516
1-Methyl-2-(1-adamantyl)pyrrolidine
CID 512340
1'-Ethylspiro[adamantane-2,3'-pyrrolidine]
CID 3009947
3-(2-Adamantyl)-1-methyl-pyrrolidine
CID 3012261
3-(2-Adamantyl)-1-ethyl-pyrrolidine
CID 3012262
3-(2-Adamantyl)-1-propyl-pyrrolidine
CID 3012263
3-(2-Adamantyl)-1-butyl-pyrrolidine
CID 3012264

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane?
The IUPAC name of 3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane (CID 44590878) is 3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane.
What is the SMILES notation for 3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane?
The canonical SMILES for 3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane is CN1CC2C3CC4CC(C3)CC2(C4)C1.
What is the InChIKey of 3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane?
The InChIKey is LLPCALMYDFOSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-14-7-12-11-3-9-2-10(4-11)6-13(12,5-9)8-14/h9-12H,2-8H2,1H3.
What are the key properties of 3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane?
3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane has a molecular weight of 191.32 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-azatetracyclo[6.3.1.16,10.01,5]tridecane is sourced from PubChem (CID 44590878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).