3-ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine

C18H35N — CID 22754561

IUPAC3-ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine
SMILESC=CCN1C(C)(CCC)CCC(CC)C1(C)CCC
InChIInChI=1S/C18H35N/c1-7-12-17(5)14-11-16(10-4)18(6,13-8-2)19(17)15-9-3/h9,16H,3,7-8,10-15H2,1-2,4-6H3
InChIKeyNYNWUPSUWVRSJV-UHFFFAOYSA-N
MW265.49 g/mol
LogP5.41
Rot. Bonds7

About 3-ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine

3-ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine (PubChem CID 22754561) has the molecular formula C18H35N and a molecular weight of 265.49 g/mol. Its IUPAC name is 3-ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine.

Molecular Properties

Compound Name3-ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine
PubChem CID22754561
Molecular FormulaC18H35N
Molecular Weight265.49 g/mol
Exact Mass265.28
IUPAC Name3-ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine
SMILESC=CCN1C(C)(CCC)CCC(CC)C1(C)CCC
InChIInChI=1S/C18H35N/c1-7-12-17(5)14-11-16(10-4)18(6,13-8-2)19(17)15-9-3/h9,16H,3,7-8,10-15H2,1-2,4-6H3
InChIKeyNYNWUPSUWVRSJV-UHFFFAOYSA-N
XLogP5.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.49
LogP ≤ 55.41
H-Bond Donors ≤ 50
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 3-ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine?
The IUPAC name of 3-ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine (CID 22754561) is 3-ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine.
What is the SMILES notation for 3-ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine?
The canonical SMILES for 3-ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine is C=CCN1C(C)(CCC)CCC(CC)C1(C)CCC.
What is the InChIKey of 3-ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine?
The InChIKey is NYNWUPSUWVRSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-7-12-17(5)14-11-16(10-4)18(6,13-8-2)19(17)15-9-3/h9,16H,3,7-8,10-15H2,1-2,4-6H3.
What are the key properties of 3-ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine?
3-ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine has a molecular weight of 265.49 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,6-dimethyl-1-prop-2-enyl-2,6-dipropylpiperidine is sourced from PubChem (CID 22754561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).