4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine

C13H17N3 — CID 174573107

IUPAC4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine
SMILESCNc1ccccc1C1(N)C=CC(N)=CC1
InChIInChI=1S/C13H17N3/c1-16-12-5-3-2-4-11(12)13(15)8-6-10(14)7-9-13/h2-8,16H,9,14-15H2,1H3
InChIKeyZZHGCGVANHNALI-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.68
Rot. Bonds2

About 4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine

4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine (PubChem CID 174573107) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine
PubChem CID174573107
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine
SMILESCNc1ccccc1C1(N)C=CC(N)=CC1
InChIInChI=1S/C13H17N3/c1-16-12-5-3-2-4-11(12)13(15)8-6-10(14)7-9-13/h2-8,16H,9,14-15H2,1H3
InChIKeyZZHGCGVANHNALI-UHFFFAOYSA-N
XLogP1.68
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2995
CID 2995
CID 65327
CID 65327
CID 8981
CID 8981
CID 7603
CID 7603
CID 67364
CID 67364
CID 77098
CID 77098
CID 9702
CID 9702
CID 66759
CID 66759
CID 66028
CID 66028
CID 15735
CID 15735
CID 6965
CID 6965
CID 11869
CID 11869

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine (CID 174573107) is 4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine is CNc1ccccc1C1(N)C=CC(N)=CC1.
What is the InChIKey of 4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is ZZHGCGVANHNALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-16-12-5-3-2-4-11(12)13(15)8-6-10(14)7-9-13/h2-8,16H,9,14-15H2,1H3.
What are the key properties of 4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine?
4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 215.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)phenyl]cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 174573107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).