2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine

C14H29NO — CID 163927559

IUPAC2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine
SMILESCNCCC1CCCCC(CCOC)C1C
InChIInChI=1S/C14H29NO/c1-12-13(8-10-15-2)6-4-5-7-14(12)9-11-16-3/h12-15H,4-11H2,1-3H3
InChIKeyRFVQARRPYPMKJJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.07
Rot. Bonds6

About 2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine

2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine (PubChem CID 163927559) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine
PubChem CID163927559
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine
SMILESCNCCC1CCCCC(CCOC)C1C
InChIInChI=1S/C14H29NO/c1-12-13(8-10-15-2)6-4-5-7-14(12)9-11-16-3/h12-15H,4-11H2,1-3H3
InChIKeyRFVQARRPYPMKJJ-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine?
The IUPAC name of 2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine (CID 163927559) is 2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine?
The canonical SMILES for 2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine is CNCCC1CCCCC(CCOC)C1C.
What is the InChIKey of 2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine?
The InChIKey is RFVQARRPYPMKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12-13(8-10-15-2)6-4-5-7-14(12)9-11-16-3/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine?
2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine has a molecular weight of 227.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethyl)-2-methylcycloheptyl]-N-methylethanamine is sourced from PubChem (CID 163927559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).