2-[(E)-hex-3-en-3-yl]oxyspiro[3.3]heptan-6-amine

C13H23NO — CID 163823375

IUPAC2-[(E)-hex-3-en-3-yl]oxyspiro[3.3]heptan-6-amine
SMILESCC/C=C(\CC)OC1CC2(CC(N)C2)C1
InChIInChI=1S/C13H23NO/c1-3-5-11(4-2)15-12-8-13(9-12)6-10(14)7-13/h5,10,12H,3-4,6-9,14H2,1-2H3/b11-5+
InChIKeyNXINBRVEEDWSKV-VZUCSPMQSA-N
MW209.33 g/mol
LogP2.98
Rot. Bonds4

About 2-[(E)-hex-3-en-3-yl]oxyspiro[3.3]heptan-6-amine

2-[(E)-hex-3-en-3-yl]oxyspiro[3.3]heptan-6-amine (PubChem CID 163823375) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-[(E)-hex-3-en-3-yl]oxyspiro[3.3]heptan-6-amine.

Molecular Properties

Compound Name2-[(E)-hex-3-en-3-yl]oxyspiro[3.3]heptan-6-amine
PubChem CID163823375
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-[(E)-hex-3-en-3-yl]oxyspiro[3.3]heptan-6-amine
SMILESCC/C=C(\CC)OC1CC2(CC(N)C2)C1
InChIInChI=1S/C13H23NO/c1-3-5-11(4-2)15-12-8-13(9-12)6-10(14)7-13/h5,10,12H,3-4,6-9,14H2,1-2H3/b11-5+
InChIKeyNXINBRVEEDWSKV-VZUCSPMQSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(3-Ethoxycyclobutyl)-4-methylpent-3-en-2-amine
CID 103169038

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-3-en-3-yl]oxyspiro[3.3]heptan-6-amine?
The IUPAC name of 2-[(E)-hex-3-en-3-yl]oxyspiro[3.3]heptan-6-amine (CID 163823375) is 2-[(E)-hex-3-en-3-yl]oxyspiro[3.3]heptan-6-amine.
What is the SMILES notation for 2-[(E)-hex-3-en-3-yl]oxyspiro[3.3]heptan-6-amine?
The canonical SMILES for 2-[(E)-hex-3-en-3-yl]oxyspiro[3.3]heptan-6-amine is CC/C=C(\CC)OC1CC2(CC(N)C2)C1.
What is the InChIKey of 2-[(E)-hex-3-en-3-yl]oxyspiro[3.3]heptan-6-amine?
The InChIKey is NXINBRVEEDWSKV-VZUCSPMQSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-11(4-2)15-12-8-13(9-12)6-10(14)7-13/h5,10,12H,3-4,6-9,14H2,1-2H3/b11-5+.
What are the key properties of 2-[(E)-hex-3-en-3-yl]oxyspiro[3.3]heptan-6-amine?
2-[(E)-hex-3-en-3-yl]oxyspiro[3.3]heptan-6-amine has a molecular weight of 209.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-3-en-3-yl]oxyspiro[3.3]heptan-6-amine is sourced from PubChem (CID 163823375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).