2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine

C15H30N2 — CID 20501051

IUPAC2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCCC1(C)CC(N)CC(C)(C)N1CC=C(C)C
InChIInChI=1S/C15H30N2/c1-7-15(6)11-13(16)10-14(4,5)17(15)9-8-12(2)3/h8,13H,7,9-11,16H2,1-6H3
InChIKeyKXVHEFLPWAIPQJ-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.32
Rot. Bonds3

About 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine

2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 20501051) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound Name2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID20501051
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCCC1(C)CC(N)CC(C)(C)N1CC=C(C)C
InChIInChI=1S/C15H30N2/c1-7-15(6)11-13(16)10-14(4,5)17(15)9-8-12(2)3/h8,13H,7,9-11,16H2,1-6H3
InChIKeyKXVHEFLPWAIPQJ-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.32
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 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 20501051) is 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine is CCC1(C)CC(N)CC(C)(C)N1CC=C(C)C.
What is the InChIKey of 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is KXVHEFLPWAIPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-7-15(6)11-13(16)10-14(4,5)17(15)9-8-12(2)3/h8,13H,7,9-11,16H2,1-6H3.
What are the key properties of 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine?
2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 238.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,6,6-trimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 20501051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).