benzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine

C20H22N2 — CID 174421123

IUPACbenzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine
SMILESNC1(N)C=CC=C(C=Cc2ccccc2)C1.c1ccccc1
InChIInChI=1S/C14H16N2.C6H6/c15-14(16)10-4-7-13(11-14)9-8-12-5-2-1-3-6-12;1-2-4-6-5-3-1/h1-10H,11,15-16H2;1-6H
InChIKeyAFWSIDAAFSQBMV-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.89
Rot. Bonds2

About benzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine

benzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine (PubChem CID 174421123) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is benzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine.

Molecular Properties

Compound Namebenzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine
PubChem CID174421123
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Namebenzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine
SMILESNC1(N)C=CC=C(C=Cc2ccccc2)C1.c1ccccc1
InChIInChI=1S/C14H16N2.C6H6/c15-14(16)10-4-7-13(11-14)9-8-12-5-2-1-3-6-12;1-2-4-6-5-3-1/h1-10H,11,15-16H2;1-6H
InChIKeyAFWSIDAAFSQBMV-UHFFFAOYSA-N
XLogP3.89
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 70567885
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1-[(E)-2-(4-ethylcyclohexa-1,3-dien-1-yl)ethenyl]-4-[(E)-2-phenylethenyl]benzene
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4-(2-phenylethenyl)aniline
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azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
N,N-dimethylmethanamine;stilbene
CID 174368184
stilbene azide
CID 159769295
5-hydrazinylcyclohexa-2,4-diene-1,1-diamine
CID 141102727
1-[(E)-2-phenylethenyl]cyclopropan-1-ol
CID 15686065

Frequently Asked Questions

What is the IUPAC name of benzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine?
The IUPAC name of benzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine (CID 174421123) is benzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine.
What is the SMILES notation for benzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine?
The canonical SMILES for benzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine is NC1(N)C=CC=C(C=Cc2ccccc2)C1.c1ccccc1.
What is the InChIKey of benzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine?
The InChIKey is AFWSIDAAFSQBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.C6H6/c15-14(16)10-4-7-13(11-14)9-8-12-5-2-1-3-6-12;1-2-4-6-5-3-1/h1-10H,11,15-16H2;1-6H.
What are the key properties of benzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine?
benzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine has a molecular weight of 290.41 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;5-(2-phenylethenyl)cyclohexa-2,4-diene-1,1-diamine is sourced from PubChem (CID 174421123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).