4-cyclohexa-1,5-dien-1-yl-2,3,4,5-tetrahydropyridin-3-amine

C11H16N2 — CID 163415819

IUPAC4-cyclohexa-1,5-dien-1-yl-2,3,4,5-tetrahydropyridin-3-amine
SMILESNC1CN=CCC1C1=CCCC=C1
InChIInChI=1S/C11H16N2/c12-11-8-13-7-6-10(11)9-4-2-1-3-5-9/h2,4-5,7,10-11H,1,3,6,8,12H2
InChIKeyAEHICUMKAQLCOC-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.68
Rot. Bonds1

About 4-cyclohexa-1,5-dien-1-yl-2,3,4,5-tetrahydropyridin-3-amine

4-cyclohexa-1,5-dien-1-yl-2,3,4,5-tetrahydropyridin-3-amine (PubChem CID 163415819) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-2,3,4,5-tetrahydropyridin-3-amine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-2,3,4,5-tetrahydropyridin-3-amine
PubChem CID163415819
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-cyclohexa-1,5-dien-1-yl-2,3,4,5-tetrahydropyridin-3-amine
SMILESNC1CN=CCC1C1=CCCC=C1
InChIInChI=1S/C11H16N2/c12-11-8-13-7-6-10(11)9-4-2-1-3-5-9/h2,4-5,7,10-11H,1,3,6,8,12H2
InChIKeyAEHICUMKAQLCOC-UHFFFAOYSA-N
XLogP1.68
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-2,3,4,5-tetrahydropyridin-3-amine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-2,3,4,5-tetrahydropyridin-3-amine (CID 163415819) is 4-cyclohexa-1,5-dien-1-yl-2,3,4,5-tetrahydropyridin-3-amine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-2,3,4,5-tetrahydropyridin-3-amine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-2,3,4,5-tetrahydropyridin-3-amine is NC1CN=CCC1C1=CCCC=C1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-2,3,4,5-tetrahydropyridin-3-amine?
The InChIKey is AEHICUMKAQLCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c12-11-8-13-7-6-10(11)9-4-2-1-3-5-9/h2,4-5,7,10-11H,1,3,6,8,12H2.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-2,3,4,5-tetrahydropyridin-3-amine?
4-cyclohexa-1,5-dien-1-yl-2,3,4,5-tetrahydropyridin-3-amine has a molecular weight of 176.26 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-2,3,4,5-tetrahydropyridin-3-amine is sourced from PubChem (CID 163415819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).