4-(5-aminocyclohexa-1,5-dien-1-yl)aniline

C12H14N2 — CID 155261407

IUPAC4-(5-aminocyclohexa-1,5-dien-1-yl)aniline
SMILESNC1=CC(c2ccc(N)cc2)=CCC1
InChIInChI=1S/C12H14N2/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h2,4-8H,1,3,13-14H2
InChIKeyYKVJPWLICOFGMP-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.29
Rot. Bonds1

About 4-(5-aminocyclohexa-1,5-dien-1-yl)aniline

4-(5-aminocyclohexa-1,5-dien-1-yl)aniline (PubChem CID 155261407) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-(5-aminocyclohexa-1,5-dien-1-yl)aniline.

Molecular Properties

Compound Name4-(5-aminocyclohexa-1,5-dien-1-yl)aniline
PubChem CID155261407
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-(5-aminocyclohexa-1,5-dien-1-yl)aniline
SMILESNC1=CC(c2ccc(N)cc2)=CCC1
InChIInChI=1S/C12H14N2/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h2,4-8H,1,3,13-14H2
InChIKeyYKVJPWLICOFGMP-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[1-amino-4-(4-aminophenyl)-2H-pyridin-6-yl]-4-(4-aminophenyl)-2H-pyridin-1-amine
CID 123152845
3-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 138737890
3-N,3-N-bis(4-phenylphenyl)cyclohexa-1,3-diene-1,3-diamine
CID 167515698
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
acetylene;4-(4-aminophenyl)aniline
CID 18766839
4-(4-aminophenyl)aniline;azanide;nickel(2+)
CID 87835817
5-aminocyclohexa-1,5-diene-1-carbonitrile
CID 89191379
4-(4-amino-4-fluorocyclohexa-1,5-dien-1-yl)aniline
CID 152526557
4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
CID 143057958
4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline
CID 97303996
ethane;1-[4-(5-methylcyclohexa-1,5-dien-1-yl)phenyl]ethenol
CID 142554767
4-(4-aminophenyl)aniline;chloromethane
CID 174340925

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminocyclohexa-1,5-dien-1-yl)aniline?
The IUPAC name of 4-(5-aminocyclohexa-1,5-dien-1-yl)aniline (CID 155261407) is 4-(5-aminocyclohexa-1,5-dien-1-yl)aniline.
What is the SMILES notation for 4-(5-aminocyclohexa-1,5-dien-1-yl)aniline?
The canonical SMILES for 4-(5-aminocyclohexa-1,5-dien-1-yl)aniline is NC1=CC(c2ccc(N)cc2)=CCC1.
What is the InChIKey of 4-(5-aminocyclohexa-1,5-dien-1-yl)aniline?
The InChIKey is YKVJPWLICOFGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h2,4-8H,1,3,13-14H2.
What are the key properties of 4-(5-aminocyclohexa-1,5-dien-1-yl)aniline?
4-(5-aminocyclohexa-1,5-dien-1-yl)aniline has a molecular weight of 186.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminocyclohexa-1,5-dien-1-yl)aniline is sourced from PubChem (CID 155261407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).