4-(2,3-dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine

C11H14N2 — CID 118190275

IUPAC4-(2,3-dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine
SMILESNC1=CC=C(C2=CC=NCC2)CC1
InChIInChI=1S/C11H14N2/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1,3,5,7H,2,4,6,8,12H2
InChIKeyOTFTYVZBFXDLIX-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.95
Rot. Bonds1

About 4-(2,3-dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine

4-(2,3-dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 118190275) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-(2,3-dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine
PubChem CID118190275
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-(2,3-dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine
SMILESNC1=CC=C(C2=CC=NCC2)CC1
InChIInChI=1S/C11H14N2/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1,3,5,7H,2,4,6,8,12H2
InChIKeyOTFTYVZBFXDLIX-UHFFFAOYSA-N
XLogP1.95
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-(2,3-dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine (CID 118190275) is 4-(2,3-dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-(2,3-dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-(2,3-dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine is NC1=CC=C(C2=CC=NCC2)CC1.
What is the InChIKey of 4-(2,3-dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is OTFTYVZBFXDLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1,3,5,7H,2,4,6,8,12H2.
What are the key properties of 4-(2,3-dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine?
4-(2,3-dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 174.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydropyridin-4-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 118190275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).