5,5-dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine

C14H25NO — CID 65176858

IUPAC5,5-dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
SMILESCC1(C)CC(CCC2CCCO2)=CC(N)C1
InChIInChI=1S/C14H25NO/c1-14(2)9-11(8-12(15)10-14)5-6-13-4-3-7-16-13/h8,12-13H,3-7,9-10,15H2,1-2H3
InChIKeyMZIWKLYHZVVLCG-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.02
Rot. Bonds3

About 5,5-dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine

5,5-dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine (PubChem CID 65176858) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
PubChem CID65176858
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name5,5-dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
SMILESCC1(C)CC(CCC2CCCO2)=CC(N)C1
InChIInChI=1S/C14H25NO/c1-14(2)9-11(8-12(15)10-14)5-6-13-4-3-7-16-13/h8,12-13H,3-7,9-10,15H2,1-2H3
InChIKeyMZIWKLYHZVVLCG-UHFFFAOYSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine?
The IUPAC name of 5,5-dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine (CID 65176858) is 5,5-dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for 5,5-dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for 5,5-dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine is CC1(C)CC(CCC2CCCO2)=CC(N)C1.
What is the InChIKey of 5,5-dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine?
The InChIKey is MZIWKLYHZVVLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(2)9-11(8-12(15)10-14)5-6-13-4-3-7-16-13/h8,12-13H,3-7,9-10,15H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine?
5,5-dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 65176858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).