7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine

C14H25NO — CID 122499367

IUPAC7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine
SMILESCCC1=CC2CCC(NCCOC)C(C1)C2
InChIInChI=1S/C14H25NO/c1-3-11-8-12-4-5-14(13(9-11)10-12)15-6-7-16-2/h8,12-15H,3-7,9-10H2,1-2H3
InChIKeyKIVSZDSLSVNALZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.75
Rot. Bonds5

About 7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine

7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine (PubChem CID 122499367) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine.

Molecular Properties

Compound Name7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine
PubChem CID122499367
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine
SMILESCCC1=CC2CCC(NCCOC)C(C1)C2
InChIInChI=1S/C14H25NO/c1-3-11-8-12-4-5-14(13(9-11)10-12)15-6-7-16-2/h8,12-15H,3-7,9-10H2,1-2H3
InChIKeyKIVSZDSLSVNALZ-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine?
The IUPAC name of 7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine (CID 122499367) is 7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine.
What is the SMILES notation for 7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine?
The canonical SMILES for 7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine is CCC1=CC2CCC(NCCOC)C(C1)C2.
What is the InChIKey of 7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine?
The InChIKey is KIVSZDSLSVNALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-11-8-12-4-5-14(13(9-11)10-12)15-6-7-16-2/h8,12-15H,3-7,9-10H2,1-2H3.
What are the key properties of 7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine?
7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(2-methoxyethyl)bicyclo[3.3.1]non-6-en-2-amine is sourced from PubChem (CID 122499367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).