4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine

C12H18N2 — CID 145431753

IUPAC4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine
SMILESCC1CCN=C(C2=CC=C(N)CC2)C1
InChIInChI=1S/C12H18N2/c1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10/h2,4,9H,3,5-8,13H2,1H3
InChIKeyXXBZPLOASLWIDY-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.42
Rot. Bonds1

About 4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine

4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 145431753) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine
PubChem CID145431753
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine
SMILESCC1CCN=C(C2=CC=C(N)CC2)C1
InChIInChI=1S/C12H18N2/c1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10/h2,4,9H,3,5-8,13H2,1H3
InChIKeyXXBZPLOASLWIDY-UHFFFAOYSA-N
XLogP2.42
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine (CID 145431753) is 4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine is CC1CCN=C(C2=CC=C(N)CC2)C1.
What is the InChIKey of 4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is XXBZPLOASLWIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10/h2,4,9H,3,5-8,13H2,1H3.
What are the key properties of 4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine?
4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 145431753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).