1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine

C15H28N2 — CID 159678916

IUPAC1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine
SMILESC=CC(=C)N1CC(N(C)C(C)(C)C)CCC1C
InChIInChI=1S/C15H28N2/c1-8-12(2)17-11-14(10-9-13(17)3)16(7)15(4,5)6/h8,13-14H,1-2,9-11H2,3-7H3
InChIKeyUJTKTSYLSQFHQD-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.27
Rot. Bonds3

About 1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine

1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine (PubChem CID 159678916) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine
PubChem CID159678916
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine
SMILESC=CC(=C)N1CC(N(C)C(C)(C)C)CCC1C
InChIInChI=1S/C15H28N2/c1-8-12(2)17-11-14(10-9-13(17)3)16(7)15(4,5)6/h8,13-14H,1-2,9-11H2,3-7H3
InChIKeyUJTKTSYLSQFHQD-UHFFFAOYSA-N
XLogP3.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine?
The IUPAC name of 1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine (CID 159678916) is 1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine?
The canonical SMILES for 1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine is C=CC(=C)N1CC(N(C)C(C)(C)C)CCC1C.
What is the InChIKey of 1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine?
The InChIKey is UJTKTSYLSQFHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-8-12(2)17-11-14(10-9-13(17)3)16(7)15(4,5)6/h8,13-14H,1-2,9-11H2,3-7H3.
What are the key properties of 1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine?
1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine has a molecular weight of 236.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-N-tert-butyl-N,6-dimethylpiperidin-3-amine is sourced from PubChem (CID 159678916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).