1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine

C14H28N2S — CID 63982728

IUPAC1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine
SMILESCSCCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C14H28N2S/c1-13(2)5-9-16-10-6-14(7-11-16)15-8-4-12-17-3/h5,14-15H,4,6-12H2,1-3H3
InChIKeyJFMOBNGEUONBDY-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.76
Rot. Bonds7

About 1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine

1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine (PubChem CID 63982728) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine
PubChem CID63982728
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine
SMILESCSCCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C14H28N2S/c1-13(2)5-9-16-10-6-14(7-11-16)15-8-4-12-17-3/h5,14-15H,4,6-12H2,1-3H3
InChIKeyJFMOBNGEUONBDY-UHFFFAOYSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine (CID 63982728) is 1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine is CSCCCNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine?
The InChIKey is JFMOBNGEUONBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-13(2)5-9-16-10-6-14(7-11-16)15-8-4-12-17-3/h5,14-15H,4,6-12H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine has a molecular weight of 256.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-(3-methylsulfanylpropyl)piperidin-4-amine is sourced from PubChem (CID 63982728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).