1-(3-methylbut-2-enyl)-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine

C16H30N2O — CID 115894096

IUPAC1-(3-methylbut-2-enyl)-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
SMILESC=C(C)COCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-14(2)5-9-18-10-6-16(7-11-18)17-8-12-19-13-15(3)4/h5,16-17H,3,6-13H2,1-2,4H3
InChIKeySKSPLOAKHWJYPY-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.60
Rot. Bonds8

About 1-(3-methylbut-2-enyl)-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine

1-(3-methylbut-2-enyl)-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine (PubChem CID 115894096) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
PubChem CID115894096
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(3-methylbut-2-enyl)-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
SMILESC=C(C)COCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-14(2)5-9-18-10-6-16(7-11-18)17-8-12-19-13-15(3)4/h5,16-17H,3,6-13H2,1-2,4H3
InChIKeySKSPLOAKHWJYPY-UHFFFAOYSA-N
XLogP2.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.60
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-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine (CID 115894096) is 1-(3-methylbut-2-enyl)-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine is C=C(C)COCCNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine?
The InChIKey is SKSPLOAKHWJYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-14(2)5-9-18-10-6-16(7-11-18)17-8-12-19-13-15(3)4/h5,16-17H,3,6-13H2,1-2,4H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine has a molecular weight of 266.43 g/mol, XLogP of 2.60, 8 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-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 115894096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).