2-methoxy-N-(spiro[3.6]decan-2-ylmethyl)ethanamine

C14H27NO — CID 65008084

IUPAC2-methoxy-N-(spiro[3.6]decan-2-ylmethyl)ethanamine
SMILESCOCCNCC1CC2(CCCCCC2)C1
InChIInChI=1S/C14H27NO/c1-16-9-8-15-12-13-10-14(11-13)6-4-2-3-5-7-14/h13,15H,2-12H2,1H3
InChIKeyIYTVXRMYGWFFKG-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds5

About 2-methoxy-N-(spiro[3.6]decan-2-ylmethyl)ethanamine

2-methoxy-N-(spiro[3.6]decan-2-ylmethyl)ethanamine (PubChem CID 65008084) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-methoxy-N-(spiro[3.6]decan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(spiro[3.6]decan-2-ylmethyl)ethanamine
PubChem CID65008084
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-methoxy-N-(spiro[3.6]decan-2-ylmethyl)ethanamine
SMILESCOCCNCC1CC2(CCCCCC2)C1
InChIInChI=1S/C14H27NO/c1-16-9-8-15-12-13-10-14(11-13)6-4-2-3-5-7-14/h13,15H,2-12H2,1H3
InChIKeyIYTVXRMYGWFFKG-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(spiro[3.6]decan-2-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(spiro[3.6]decan-2-ylmethyl)ethanamine (CID 65008084) is 2-methoxy-N-(spiro[3.6]decan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(spiro[3.6]decan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(spiro[3.6]decan-2-ylmethyl)ethanamine is COCCNCC1CC2(CCCCCC2)C1.
What is the InChIKey of 2-methoxy-N-(spiro[3.6]decan-2-ylmethyl)ethanamine?
The InChIKey is IYTVXRMYGWFFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-16-9-8-15-12-13-10-14(11-13)6-4-2-3-5-7-14/h13,15H,2-12H2,1H3.
What are the key properties of 2-methoxy-N-(spiro[3.6]decan-2-ylmethyl)ethanamine?
2-methoxy-N-(spiro[3.6]decan-2-ylmethyl)ethanamine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(spiro[3.6]decan-2-ylmethyl)ethanamine is sourced from PubChem (CID 65008084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).