1,4-bis(4-methyl-2-pyridinyl)cyclohexa-3,5-diene-1,2-diamine

C18H20N4 — CID 67173481

IUPAC1,4-bis(4-methyl-2-pyridinyl)cyclohexa-3,5-diene-1,2-diamine
SMILESCc1ccnc(C2=CC(N)C(N)(c3cc(C)ccn3)C=C2)c1
InChIInChI=1S/C18H20N4/c1-12-4-7-21-15(9-12)14-3-6-18(20,16(19)11-14)17-10-13(2)5-8-22-17/h3-11,16H,19-20H2,1-2H3
InChIKeyHQSGOPXRVIVEMD-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.23
Rot. Bonds2

About 1,4-bis(4-methyl-2-pyridinyl)cyclohexa-3,5-diene-1,2-diamine

1,4-bis(4-methyl-2-pyridinyl)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 67173481) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1,4-bis(4-methyl-2-pyridinyl)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1,4-bis(4-methyl-2-pyridinyl)cyclohexa-3,5-diene-1,2-diamine
PubChem CID67173481
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name1,4-bis(4-methyl-2-pyridinyl)cyclohexa-3,5-diene-1,2-diamine
SMILESCc1ccnc(C2=CC(N)C(N)(c3cc(C)ccn3)C=C2)c1
InChIInChI=1S/C18H20N4/c1-12-4-7-21-15(9-12)14-3-6-18(20,16(19)11-14)17-10-13(2)5-8-22-17/h3-11,16H,19-20H2,1-2H3
InChIKeyHQSGOPXRVIVEMD-UHFFFAOYSA-N
XLogP2.23
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methyl-2-pyridinyl)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1,4-bis(4-methyl-2-pyridinyl)cyclohexa-3,5-diene-1,2-diamine (CID 67173481) is 1,4-bis(4-methyl-2-pyridinyl)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1,4-bis(4-methyl-2-pyridinyl)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1,4-bis(4-methyl-2-pyridinyl)cyclohexa-3,5-diene-1,2-diamine is Cc1ccnc(C2=CC(N)C(N)(c3cc(C)ccn3)C=C2)c1.
What is the InChIKey of 1,4-bis(4-methyl-2-pyridinyl)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is HQSGOPXRVIVEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-12-4-7-21-15(9-12)14-3-6-18(20,16(19)11-14)17-10-13(2)5-8-22-17/h3-11,16H,19-20H2,1-2H3.
What are the key properties of 1,4-bis(4-methyl-2-pyridinyl)cyclohexa-3,5-diene-1,2-diamine?
1,4-bis(4-methyl-2-pyridinyl)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 292.39 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methyl-2-pyridinyl)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 67173481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).