ethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine

C18H40N2 — CID 142068096

IUPACethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
SMILESCC.CC(C)CN1CCCCC1CCN.CC=C(C)C
InChIInChI=1S/C11H24N2.C5H10.C2H6/c1-10(2)9-13-8-4-3-5-11(13)6-7-12;1-4-5(2)3;1-2/h10-11H,3-9,12H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyJISRRUOJENNQSG-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.84
Rot. Bonds4

About ethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine

ethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine (PubChem CID 142068096) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is ethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Nameethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
PubChem CID142068096
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Nameethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
SMILESCC.CC(C)CN1CCCCC1CCN.CC=C(C)C
InChIInChI=1S/C11H24N2.C5H10.C2H6/c1-10(2)9-13-8-4-3-5-11(13)6-7-12;1-4-5(2)3;1-2/h10-11H,3-9,12H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyJISRRUOJENNQSG-UHFFFAOYSA-N
XLogP4.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine?
The IUPAC name of ethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine (CID 142068096) is ethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for ethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine?
The canonical SMILES for ethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine is CC.CC(C)CN1CCCCC1CCN.CC=C(C)C.
What is the InChIKey of ethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine?
The InChIKey is JISRRUOJENNQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C5H10.C2H6/c1-10(2)9-13-8-4-3-5-11(13)6-7-12;1-4-5(2)3;1-2/h10-11H,3-9,12H2,1-2H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine?
ethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine has a molecular weight of 284.53 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 142068096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).