ethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine

C11H23N — CID 153336559

IUPACethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC.CC1C=CCC(C(C)C)N1
InChIInChI=1S/C9H17N.C2H6/c1-7(2)9-6-4-5-8(3)10-9;1-2/h4-5,7-10H,6H2,1-3H3;1-2H3
InChIKeyXCCICBVRSHSKIP-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds1

About ethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine

ethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine (PubChem CID 153336559) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Nameethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine
PubChem CID153336559
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC.CC1C=CCC(C(C)C)N1
InChIInChI=1S/C9H17N.C2H6/c1-7(2)9-6-4-5-8(3)10-9;1-2/h4-5,7-10H,6H2,1-3H3;1-2H3
InChIKeyXCCICBVRSHSKIP-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 ethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of ethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine (CID 153336559) is ethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for ethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for ethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine is CC.CC1C=CCC(C(C)C)N1.
What is the InChIKey of ethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is XCCICBVRSHSKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-7(2)9-6-4-5-8(3)10-9;1-2/h4-5,7-10H,6H2,1-3H3;1-2H3.
What are the key properties of ethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine?
ethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 153336559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).