4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine

C12H16N4 — CID 69280417

IUPAC4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine
SMILESNc1ccc(C2=CC(N)C(N)(N)C=C2)cc1
InChIInChI=1S/C12H16N4/c13-10-3-1-8(2-4-10)9-5-6-12(15,16)11(14)7-9/h1-7,11H,13-16H2
InChIKeyGSEGBPHJMPRLKA-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.16
Rot. Bonds1

About 4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine

4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine (PubChem CID 69280417) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine.

Molecular Properties

Compound Name4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine
PubChem CID69280417
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine
SMILESNc1ccc(C2=CC(N)C(N)(N)C=C2)cc1
InChIInChI=1S/C12H16N4/c13-10-3-1-8(2-4-10)9-5-6-12(15,16)11(14)7-9/h1-7,11H,13-16H2
InChIKeyGSEGBPHJMPRLKA-UHFFFAOYSA-N
XLogP0.16
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine
CID 151570595
4-(4-amino-4-fluorocyclohexa-1,5-dien-1-yl)aniline
CID 152526557
4-(4-amino-4-fluorocyclohexa-1,5-dien-1-yl)aniline;hydrochloride
CID 172857422
6,6-diamino-3-phenylcyclohexa-2,4-diene-1-thiol
CID 88638911
4-[4-amino-4-(azetidin-3-yl)cyclohexa-1,5-dien-1-yl]aniline
CID 162087611
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline
CID 97303996
4-(4-amino-4-piperidin-4-ylcyclohexa-1,5-dien-1-yl)aniline
CID 158841519
4-(4-amino-4-azidocyclohexa-1,5-dien-1-yl)aniline
CID 150029396
4-(4-aminophenyl)aniline;azanide;nickel(2+)
CID 87835817
acetylene;4-(4-aminophenyl)aniline
CID 18766839
4-(4-amino-4-phenoxycyclohexa-1,5-dien-1-yl)aniline
CID 152565245

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine?
The IUPAC name of 4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine (CID 69280417) is 4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine.
What is the SMILES notation for 4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine?
The canonical SMILES for 4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine is Nc1ccc(C2=CC(N)C(N)(N)C=C2)cc1.
What is the InChIKey of 4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine?
The InChIKey is GSEGBPHJMPRLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-10-3-1-8(2-4-10)9-5-6-12(15,16)11(14)7-9/h1-7,11H,13-16H2.
What are the key properties of 4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine?
4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine has a molecular weight of 216.29 g/mol, XLogP of 0.16, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine is sourced from PubChem (CID 69280417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).