5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine

C17H29NO — CID 79923139

IUPAC5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine
SMILESCC1(C)CC(C2CCOC3(CCCC3)C2)=CC(N)C1
InChIInChI=1S/C17H29NO/c1-16(2)10-14(9-15(18)12-16)13-5-8-19-17(11-13)6-3-4-7-17/h9,13,15H,3-8,10-12,18H2,1-2H3
InChIKeyRCNJJISKCBIZKR-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.80
Rot. Bonds1

About 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine

5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine (PubChem CID 79923139) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine
PubChem CID79923139
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine
SMILESCC1(C)CC(C2CCOC3(CCCC3)C2)=CC(N)C1
InChIInChI=1S/C17H29NO/c1-16(2)10-14(9-15(18)12-16)13-5-8-19-17(11-13)6-3-4-7-17/h9,13,15H,3-8,10-12,18H2,1-2H3
InChIKeyRCNJJISKCBIZKR-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.80
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-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine?
The IUPAC name of 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine (CID 79923139) is 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine.
What is the SMILES notation for 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine?
The canonical SMILES for 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine is CC1(C)CC(C2CCOC3(CCCC3)C2)=CC(N)C1.
What is the InChIKey of 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine?
The InChIKey is RCNJJISKCBIZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-16(2)10-14(9-15(18)12-16)13-5-8-19-17(11-13)6-3-4-7-17/h9,13,15H,3-8,10-12,18H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine?
5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine has a molecular weight of 263.42 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 79923139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).