9,10-di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane

C16H29N — CID 18717942

IUPAC9,10-di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane
SMILESCC(C)C1C2C3CCCC2CN(C3)C1C(C)C
InChIInChI=1S/C16H29N/c1-10(2)14-15-12-6-5-7-13(15)9-17(8-12)16(14)11(3)4/h10-16H,5-9H2,1-4H3
InChIKeyYWMVUTCVSMNYBY-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.64
Rot. Bonds2

About 9,10-di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane

9,10-di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane (PubChem CID 18717942) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 9,10-di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane.

Molecular Properties

Compound Name9,10-di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane
PubChem CID18717942
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name9,10-di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane
SMILESCC(C)C1C2C3CCCC2CN(C3)C1C(C)C
InChIInChI=1S/C16H29N/c1-10(2)14-15-12-6-5-7-13(15)9-17(8-12)16(14)11(3)4/h10-16H,5-9H2,1-4H3
InChIKeyYWMVUTCVSMNYBY-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,10-di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane?
The IUPAC name of 9,10-di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane (CID 18717942) is 9,10-di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane.
What is the SMILES notation for 9,10-di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane?
The canonical SMILES for 9,10-di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane is CC(C)C1C2C3CCCC2CN(C3)C1C(C)C.
What is the InChIKey of 9,10-di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane?
The InChIKey is YWMVUTCVSMNYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-10(2)14-15-12-6-5-7-13(15)9-17(8-12)16(14)11(3)4/h10-16H,5-9H2,1-4H3.
What are the key properties of 9,10-di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane?
9,10-di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane has a molecular weight of 235.41 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-di(propan-2-yl)-1-azatricyclo[5.3.1.03,8]undecane is sourced from PubChem (CID 18717942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).