13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane

C20H33N — CID 155365365

IUPAC13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane
SMILESCC1(C)C2CCCCC2C2CC3C(CC21)NC1CCCC13
InChIInChI=1S/C20H33N/c1-20(2)16-8-4-3-6-12(16)14-10-15-13-7-5-9-18(13)21-19(15)11-17(14)20/h12-19,21H,3-11H2,1-2H3
InChIKeyKCEHNTQBJXFQAG-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.62
Rot. Bonds

About 13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane

13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane (PubChem CID 155365365) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane.

Molecular Properties

Compound Name13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane
PubChem CID155365365
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane
SMILESCC1(C)C2CCCCC2C2CC3C(CC21)NC1CCCC13
InChIInChI=1S/C20H33N/c1-20(2)16-8-4-3-6-12(16)14-10-15-13-7-5-9-18(13)21-19(15)11-17(14)20/h12-19,21H,3-11H2,1-2H3
InChIKeyKCEHNTQBJXFQAG-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane?
The IUPAC name of 13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane (CID 155365365) is 13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane.
What is the SMILES notation for 13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane?
The canonical SMILES for 13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane is CC1(C)C2CCCCC2C2CC3C(CC21)NC1CCCC13.
What is the InChIKey of 13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane?
The InChIKey is KCEHNTQBJXFQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-20(2)16-8-4-3-6-12(16)14-10-15-13-7-5-9-18(13)21-19(15)11-17(14)20/h12-19,21H,3-11H2,1-2H3.
What are the key properties of 13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane?
13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane has a molecular weight of 287.49 g/mol, XLogP of 4.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-dimethyl-9-azapentacyclo[10.7.0.03,10.04,8.014,19]nonadecane is sourced from PubChem (CID 155365365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).