2,6-di(propan-2-yl)-N-[1-(2,3,4,5-tetrahydropyridin-2-yl)ethyl]cyclohexa-1,5-dien-1-amine

C19H32N2 — CID 155348765

IUPAC2,6-di(propan-2-yl)-N-[1-(2,3,4,5-tetrahydropyridin-2-yl)ethyl]cyclohexa-1,5-dien-1-amine
SMILESCC(C)C1=CCCC(C(C)C)=C1NC(C)C1CCCC=N1
InChIInChI=1S/C19H32N2/c1-13(2)16-9-8-10-17(14(3)4)19(16)21-15(5)18-11-6-7-12-20-18/h9,12-15,18,21H,6-8,10-11H2,1-5H3
InChIKeyUHCHZMXEQLNDCA-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.87
Rot. Bonds5

About 2,6-di(propan-2-yl)-N-[1-(2,3,4,5-tetrahydropyridin-2-yl)ethyl]cyclohexa-1,5-dien-1-amine

2,6-di(propan-2-yl)-N-[1-(2,3,4,5-tetrahydropyridin-2-yl)ethyl]cyclohexa-1,5-dien-1-amine (PubChem CID 155348765) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-N-[1-(2,3,4,5-tetrahydropyridin-2-yl)ethyl]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-N-[1-(2,3,4,5-tetrahydropyridin-2-yl)ethyl]cyclohexa-1,5-dien-1-amine
PubChem CID155348765
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2,6-di(propan-2-yl)-N-[1-(2,3,4,5-tetrahydropyridin-2-yl)ethyl]cyclohexa-1,5-dien-1-amine
SMILESCC(C)C1=CCCC(C(C)C)=C1NC(C)C1CCCC=N1
InChIInChI=1S/C19H32N2/c1-13(2)16-9-8-10-17(14(3)4)19(16)21-15(5)18-11-6-7-12-20-18/h9,12-15,18,21H,6-8,10-11H2,1-5H3
InChIKeyUHCHZMXEQLNDCA-UHFFFAOYSA-N
XLogP4.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-N-[1-(2,3,4,5-tetrahydropyridin-2-yl)ethyl]cyclohexa-1,5-dien-1-amine?
The IUPAC name of 2,6-di(propan-2-yl)-N-[1-(2,3,4,5-tetrahydropyridin-2-yl)ethyl]cyclohexa-1,5-dien-1-amine (CID 155348765) is 2,6-di(propan-2-yl)-N-[1-(2,3,4,5-tetrahydropyridin-2-yl)ethyl]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2,6-di(propan-2-yl)-N-[1-(2,3,4,5-tetrahydropyridin-2-yl)ethyl]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2,6-di(propan-2-yl)-N-[1-(2,3,4,5-tetrahydropyridin-2-yl)ethyl]cyclohexa-1,5-dien-1-amine is CC(C)C1=CCCC(C(C)C)=C1NC(C)C1CCCC=N1.
What is the InChIKey of 2,6-di(propan-2-yl)-N-[1-(2,3,4,5-tetrahydropyridin-2-yl)ethyl]cyclohexa-1,5-dien-1-amine?
The InChIKey is UHCHZMXEQLNDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-13(2)16-9-8-10-17(14(3)4)19(16)21-15(5)18-11-6-7-12-20-18/h9,12-15,18,21H,6-8,10-11H2,1-5H3.
What are the key properties of 2,6-di(propan-2-yl)-N-[1-(2,3,4,5-tetrahydropyridin-2-yl)ethyl]cyclohexa-1,5-dien-1-amine?
2,6-di(propan-2-yl)-N-[1-(2,3,4,5-tetrahydropyridin-2-yl)ethyl]cyclohexa-1,5-dien-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-N-[1-(2,3,4,5-tetrahydropyridin-2-yl)ethyl]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 155348765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).