2-[1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridin-4-yl]ethanamine

C12H22N2 — CID 71668922

IUPAC2-[1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridin-4-yl]ethanamine
SMILESCC(C)=CCN1CC=C(CCN)CC1
InChIInChI=1S/C12H22N2/c1-11(2)4-8-14-9-5-12(3-7-13)6-10-14/h4-5H,3,6-10,13H2,1-2H3
InChIKeyXJRFMUVVRXXXRN-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.93
Rot. Bonds4

About 2-[1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridin-4-yl]ethanamine

2-[1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridin-4-yl]ethanamine (PubChem CID 71668922) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-[1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridin-4-yl]ethanamine
PubChem CID71668922
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-[1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridin-4-yl]ethanamine
SMILESCC(C)=CCN1CC=C(CCN)CC1
InChIInChI=1S/C12H22N2/c1-11(2)4-8-14-9-5-12(3-7-13)6-10-14/h4-5H,3,6-10,13H2,1-2H3
InChIKeyXJRFMUVVRXXXRN-UHFFFAOYSA-N
XLogP1.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.93
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 2-[1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridin-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridin-4-yl]ethanamine (CID 71668922) is 2-[1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridin-4-yl]ethanamine is CC(C)=CCN1CC=C(CCN)CC1.
What is the InChIKey of 2-[1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridin-4-yl]ethanamine?
The InChIKey is XJRFMUVVRXXXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2)4-8-14-9-5-12(3-7-13)6-10-14/h4-5H,3,6-10,13H2,1-2H3.
What are the key properties of 2-[1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridin-4-yl]ethanamine?
2-[1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridin-4-yl]ethanamine has a molecular weight of 194.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylbut-2-enyl)-3,6-dihydro-2H-pyridin-4-yl]ethanamine is sourced from PubChem (CID 71668922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).