4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine

C17H29NO — CID 129173759

IUPAC4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine
SMILESCC(C)(C)C1C=CC(C2NCCC3OCCC32)CC1
InChIInChI=1S/C17H29NO/c1-17(2,3)13-6-4-12(5-7-13)16-14-9-11-19-15(14)8-10-18-16/h4,6,12-16,18H,5,7-11H2,1-3H3
InChIKeyIYHKVYLGFRDWRY-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.38
Rot. Bonds1

About 4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine

4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine (PubChem CID 129173759) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine
PubChem CID129173759
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine
SMILESCC(C)(C)C1C=CC(C2NCCC3OCCC32)CC1
InChIInChI=1S/C17H29NO/c1-17(2,3)13-6-4-12(5-7-13)16-14-9-11-19-15(14)8-10-18-16/h4,6,12-16,18H,5,7-11H2,1-3H3
InChIKeyIYHKVYLGFRDWRY-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine with MolForge

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Related Compounds

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N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]propan-2-amine
CID 79367604
N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]propan-1-amine
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N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 79368658
N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine
CID 79368816
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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine?
The IUPAC name of 4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine (CID 129173759) is 4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine.
What is the SMILES notation for 4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine?
The canonical SMILES for 4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine is CC(C)(C)C1C=CC(C2NCCC3OCCC32)CC1.
What is the InChIKey of 4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine?
The InChIKey is IYHKVYLGFRDWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-17(2,3)13-6-4-12(5-7-13)16-14-9-11-19-15(14)8-10-18-16/h4,6,12-16,18H,5,7-11H2,1-3H3.
What are the key properties of 4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine?
4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine has a molecular weight of 263.42 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohex-2-en-1-yl)-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-c]pyridine is sourced from PubChem (CID 129173759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).