3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopent-2-en-1-amine

C14H23NO — CID 102901381

IUPAC3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopent-2-en-1-amine
SMILESNC1C=C(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C14H23NO/c15-12-4-3-11(9-12)10-13-5-8-14(16-13)6-1-2-7-14/h9,12-13H,1-8,10,15H2
InChIKeyKNEQUMGUBAKYMK-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.92
Rot. Bonds2

About 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopent-2-en-1-amine

3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopent-2-en-1-amine (PubChem CID 102901381) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopent-2-en-1-amine
PubChem CID102901381
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopent-2-en-1-amine
SMILESNC1C=C(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C14H23NO/c15-12-4-3-11(9-12)10-13-5-8-14(16-13)6-1-2-7-14/h9,12-13H,1-8,10,15H2
InChIKeyKNEQUMGUBAKYMK-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-(Oxolan-3-yl)cyclohex-2-en-1-amine
CID 65171993
3-(Oxolan-2-ylmethyl)cyclohex-2-en-1-amine
CID 65172053
3-[3-(Oxolan-2-yl)propyl]cyclopent-2-en-1-amine
CID 65174055
3-(Oxolan-3-yl)cyclopent-2-en-1-amine
CID 65174282
3-(Oxolan-2-ylmethyl)cyclopent-2-en-1-amine
CID 65174346
3-[2-(Oxolan-2-yl)ethyl]cyclopent-2-en-1-amine
CID 65174471
5,5-Dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
CID 65176858

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopent-2-en-1-amine?
The IUPAC name of 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopent-2-en-1-amine (CID 102901381) is 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopent-2-en-1-amine.
What is the SMILES notation for 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopent-2-en-1-amine?
The canonical SMILES for 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopent-2-en-1-amine is NC1C=C(CC2CCC3(CCCC3)O2)CC1.
What is the InChIKey of 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopent-2-en-1-amine?
The InChIKey is KNEQUMGUBAKYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c15-12-4-3-11(9-12)10-13-5-8-14(16-13)6-1-2-7-14/h9,12-13H,1-8,10,15H2.
What are the key properties of 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopent-2-en-1-amine?
3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopent-2-en-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopent-2-en-1-amine is sourced from PubChem (CID 102901381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).