3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline

C12H16N2 — CID 23273824

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
SMILESCN1CC=C(c2cccc(N)c2)CC1
InChIInChI=1S/C12H16N2/c1-14-7-5-10(6-8-14)11-3-2-4-12(13)9-11/h2-5,9H,6-8,13H2,1H3
InChIKeyXXFOMXBPZIXRAX-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.99
Rot. Bonds1

About 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline

3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline (PubChem CID 23273824) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
PubChem CID23273824
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
SMILESCN1CC=C(c2cccc(N)c2)CC1
InChIInChI=1S/C12H16N2/c1-14-7-5-10(6-8-14)11-3-2-4-12(13)9-11/h2-5,9H,6-8,13H2,1H3
InChIKeyXXFOMXBPZIXRAX-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline (CID 23273824) is 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline is CN1CC=C(c2cccc(N)c2)CC1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline?
The InChIKey is XXFOMXBPZIXRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-14-7-5-10(6-8-14)11-3-2-4-12(13)9-11/h2-5,9H,6-8,13H2,1H3.
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline?
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline has a molecular weight of 188.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline is sourced from PubChem (CID 23273824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).