1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane

C16H27N — CID 616199

IUPAC1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane
SMILESC=C1C2CN(C)CC3C2C(C(C)C)CCC13C
InChIInChI=1S/C16H27N/c1-10(2)12-6-7-16(4)11(3)13-8-17(5)9-14(16)15(12)13/h10,12-15H,3,6-9H2,1-2,4-5H3
InChIKeyKXDPOVGKEXXCDQ-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.42
Rot. Bonds1

About 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane

1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane (PubChem CID 616199) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane.

Molecular Properties

Compound Name1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane
PubChem CID616199
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane
SMILESC=C1C2CN(C)CC3C2C(C(C)C)CCC13C
InChIInChI=1S/C16H27N/c1-10(2)12-6-7-16(4)11(3)13-8-17(5)9-14(16)15(12)13/h10,12-15H,3,6-9H2,1-2,4-5H3
InChIKeyKXDPOVGKEXXCDQ-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane?
The IUPAC name of 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane (CID 616199) is 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane.
What is the SMILES notation for 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane?
The canonical SMILES for 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane is C=C1C2CN(C)CC3C2C(C(C)C)CCC13C.
What is the InChIKey of 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane?
The InChIKey is KXDPOVGKEXXCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-10(2)12-6-7-16(4)11(3)13-8-17(5)9-14(16)15(12)13/h10,12-15H,3,6-9H2,1-2,4-5H3.
What are the key properties of 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane?
1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane has a molecular weight of 233.40 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecane is sourced from PubChem (CID 616199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).