1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine

C14H27NO — CID 170043716

IUPAC1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine
SMILESCONC(C)C12CC(C)CC(CC(C)C1)C2
InChIInChI=1S/C14H27NO/c1-10-5-13-6-11(2)8-14(7-10,9-13)12(3)15-16-4/h10-13,15H,5-9H2,1-4H3
InChIKeyBVSBWOXNWAQORE-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.38
Rot. Bonds3

About 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine

1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine (PubChem CID 170043716) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine.

Molecular Properties

Compound Name1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine
PubChem CID170043716
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine
SMILESCONC(C)C12CC(C)CC(CC(C)C1)C2
InChIInChI=1S/C14H27NO/c1-10-5-13-6-11(2)8-14(7-10,9-13)12(3)15-16-4/h10-13,15H,5-9H2,1-4H3
InChIKeyBVSBWOXNWAQORE-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine?
The IUPAC name of 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine (CID 170043716) is 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine.
What is the SMILES notation for 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine?
The canonical SMILES for 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine is CONC(C)C12CC(C)CC(CC(C)C1)C2.
What is the InChIKey of 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine?
The InChIKey is BVSBWOXNWAQORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10-5-13-6-11(2)8-14(7-10,9-13)12(3)15-16-4/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine?
1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine has a molecular weight of 225.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-N-methoxyethanamine is sourced from PubChem (CID 170043716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).