1,7-dimethyl-10-azatetracyclo[4.3.1.02,4.07,9]decane

C11H17N — CID 126512690

IUPAC1,7-dimethyl-10-azatetracyclo[4.3.1.02,4.07,9]decane
SMILESCC12CC1C1(C)NC2CC2CC21
InChIInChI=1S/C11H17N/c1-10-5-8(10)11(2)7-3-6(7)4-9(10)12-11/h6-9,12H,3-5H2,1-2H3
InChIKeyHRXVLACUSLEKLH-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.78
Rot. Bonds

About 1,7-dimethyl-10-azatetracyclo[4.3.1.02,4.07,9]decane

1,7-dimethyl-10-azatetracyclo[4.3.1.02,4.07,9]decane (PubChem CID 126512690) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1,7-dimethyl-10-azatetracyclo[4.3.1.02,4.07,9]decane.

Molecular Properties

Compound Name1,7-dimethyl-10-azatetracyclo[4.3.1.02,4.07,9]decane
PubChem CID126512690
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1,7-dimethyl-10-azatetracyclo[4.3.1.02,4.07,9]decane
SMILESCC12CC1C1(C)NC2CC2CC21
InChIInChI=1S/C11H17N/c1-10-5-8(10)11(2)7-3-6(7)4-9(10)12-11/h6-9,12H,3-5H2,1-2H3
InChIKeyHRXVLACUSLEKLH-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-10-azatetracyclo[4.3.1.02,4.07,9]decane?
The IUPAC name of 1,7-dimethyl-10-azatetracyclo[4.3.1.02,4.07,9]decane (CID 126512690) is 1,7-dimethyl-10-azatetracyclo[4.3.1.02,4.07,9]decane.
What is the SMILES notation for 1,7-dimethyl-10-azatetracyclo[4.3.1.02,4.07,9]decane?
The canonical SMILES for 1,7-dimethyl-10-azatetracyclo[4.3.1.02,4.07,9]decane is CC12CC1C1(C)NC2CC2CC21.
What is the InChIKey of 1,7-dimethyl-10-azatetracyclo[4.3.1.02,4.07,9]decane?
The InChIKey is HRXVLACUSLEKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-10-5-8(10)11(2)7-3-6(7)4-9(10)12-11/h6-9,12H,3-5H2,1-2H3.
What are the key properties of 1,7-dimethyl-10-azatetracyclo[4.3.1.02,4.07,9]decane?
1,7-dimethyl-10-azatetracyclo[4.3.1.02,4.07,9]decane has a molecular weight of 163.26 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-10-azatetracyclo[4.3.1.02,4.07,9]decane is sourced from PubChem (CID 126512690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).