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

C15H30N2S — CID 63982568

IUPAC1-(3-methylbut-2-enyl)-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine
SMILESCSCC(C)CNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C15H30N2S/c1-13(2)5-8-17-9-6-15(7-10-17)16-11-14(3)12-18-4/h5,14-16H,6-12H2,1-4H3
InChIKeyPFFXNTNQDNNNKO-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.01
Rot. Bonds7

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

1-(3-methylbut-2-enyl)-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine (PubChem CID 63982568) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine
PubChem CID63982568
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name1-(3-methylbut-2-enyl)-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine
SMILESCSCC(C)CNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C15H30N2S/c1-13(2)5-8-17-9-6-15(7-10-17)16-11-14(3)12-18-4/h5,14-16H,6-12H2,1-4H3
InChIKeyPFFXNTNQDNNNKO-UHFFFAOYSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbut-2-enyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 103778106
N-(3-methylbut-2-enyl)-1-methylsulfanylpiperidin-4-amine
CID 123162880
1-(3-methylbut-2-enyl)-N-(2-methylpropyl)piperidin-4-amine
CID 43756435
1-(3-methylbut-2-enyl)-N-(3-methylsulfonylpropyl)piperidin-4-amine
CID 54905276
1-(3-methylbut-2-enyl)-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 54932267
N-ethyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine
CID 63964550
1-(2-methyl-3-methylsulfanylpropyl)-N-propylpiperidin-4-amine
CID 63965203
N-methyl-1-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine
CID 63967413
1-methyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine
CID 63980630
N-(2-methyl-3-methylsulfanylpropyl)-1-propylpiperidin-4-amine
CID 63980826
N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 63982124
1-ethyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine
CID 63982125

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine (CID 63982568) is 1-(3-methylbut-2-enyl)-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine is CSCC(C)CNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine?
The InChIKey is PFFXNTNQDNNNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-13(2)5-8-17-9-6-15(7-10-17)16-11-14(3)12-18-4/h5,14-16H,6-12H2,1-4H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine has a molecular weight of 270.49 g/mol, XLogP of 3.01, 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-(2-methyl-3-methylsulfanylpropyl)piperidin-4-amine is sourced from PubChem (CID 63982568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).