4-phenylcyclohexa-1,5-diene-1,4-diamine

C12H14N2 — CID 24815458

IUPAC4-phenylcyclohexa-1,5-diene-1,4-diamine
SMILESNC1=CCC(N)(c2ccccc2)C=C1
InChIInChI=1S/C12H14N2/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h1-8H,9,13-14H2
InChIKeyGFEQMMJEHGAWGE-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.64
Rot. Bonds1

About 4-phenylcyclohexa-1,5-diene-1,4-diamine

4-phenylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 24815458) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-phenylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-phenylcyclohexa-1,5-diene-1,4-diamine
PubChem CID24815458
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-phenylcyclohexa-1,5-diene-1,4-diamine
SMILESNC1=CCC(N)(c2ccccc2)C=C1
InChIInChI=1S/C12H14N2/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h1-8H,9,13-14H2
InChIKeyGFEQMMJEHGAWGE-UHFFFAOYSA-N
XLogP1.64
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Diaminodiphenylmethane
CID 7577
4-Aminobiphenyl
CID 7102
Benzidine
CID 7111
Phentermine
CID 4771
2-Aminobiphenyl
CID 7015
1-Phenylcyclohexylamine
CID 31862
3-Aminobiphenyl
CID 16717
Cyclohexanamine, 1-phenyl-, hydrochloride (1:1)
CID 200391
Pentorex
CID 22031
Tritylamine
CID 138598
2,2'-Biphenyldiamine
CID 15075
1,2-Diphenylethylamine
CID 26482

Frequently Asked Questions

What is the IUPAC name of 4-phenylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-phenylcyclohexa-1,5-diene-1,4-diamine (CID 24815458) is 4-phenylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-phenylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-phenylcyclohexa-1,5-diene-1,4-diamine is NC1=CCC(N)(c2ccccc2)C=C1.
What is the InChIKey of 4-phenylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is GFEQMMJEHGAWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h1-8H,9,13-14H2.
What are the key properties of 4-phenylcyclohexa-1,5-diene-1,4-diamine?
4-phenylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 186.26 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 24815458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).