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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Buta-1,3-dien-2-yl-2,2-dimethylpiperidine
CID 53744545
1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine
CID 58336937
2-Pentyl-1,4-bis(prop-2-enyl)piperazine
CID 67045067
4-Buta-1,3-dien-2-yl-1,2-dimethylpiperazine
CID 139337863
1-Buta-1,3-dien-2-yl-2,5-dimethylpiperidine
CID 142290888
4-Cyclohexyl-2-methylidene-1-propan-2-ylpiperazine
CID 144209381
1-Heptan-2-yl-4-prop-2-enylpiperazine
CID 146199786
1-Buta-1,3-dien-2-yl-2,5-dimethyl-4-propan-2-ylpiperazine
CID 146250146
(3R,6R)-1-buta-1,3-dien-2-yl-N,N,6-trimethylpiperidin-3-amine
CID 166764331
1-Buta-1,3-dien-2-yl-2,4-dimethylpiperazine
CID 167089477
1-(4-buta-1,3-dien-2-yl-1-propan-2-ylpiperazin-2-yl)-N,N-dimethylmethanamine
CID 170013093
N,N-dimethyl-2-(2-methylpiperidin-1-yl)prop-2-en-1-amine;ethane
CID 171531220

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).