1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine

C17H33N2+ — CID 164811406

IUPAC1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine
SMILESCCC1C2CCC(C1CN(C)C)C1C[N+](C)(C)CC21
InChIInChI=1S/C17H33N2/c1-6-12-13-7-8-14(15(12)9-18(2)3)17-11-19(4,5)10-16(13)17/h12-17H,6-11H2,1-5H3/q+1
InChIKeyYMJUVQIMOCVZEF-UHFFFAOYSA-N
MW265.46 g/mol
LogP2.55
Rot. Bonds3

About 1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine

1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine (PubChem CID 164811406) has the molecular formula C17H33N2+ and a molecular weight of 265.46 g/mol. Its IUPAC name is 1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine
PubChem CID164811406
Molecular FormulaC17H33N2+
Molecular Weight265.46 g/mol
Exact Mass265.26
IUPAC Name1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine
SMILESCCC1C2CCC(C1CN(C)C)C1C[N+](C)(C)CC21
InChIInChI=1S/C17H33N2/c1-6-12-13-7-8-14(15(12)9-18(2)3)17-11-19(4,5)10-16(13)17/h12-17H,6-11H2,1-5H3/q+1
InChIKeyYMJUVQIMOCVZEF-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine (CID 164811406) is 1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine is CCC1C2CCC(C1CN(C)C)C1C[N+](C)(C)CC21.
What is the InChIKey of 1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine?
The InChIKey is YMJUVQIMOCVZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N2/c1-6-12-13-7-8-14(15(12)9-18(2)3)17-11-19(4,5)10-16(13)17/h12-17H,6-11H2,1-5H3/q+1.
What are the key properties of 1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine?
1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine has a molecular weight of 265.46 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethyl-4,4-dimethyl-4-azoniatricyclo[5.2.2.02,6]undecan-8-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 164811406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).