4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine

C15H18N2 — CID 174870617

IUPAC4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine
SMILESC=CCc1ccccc1C1=CCC(N)(N)C=C1
InChIInChI=1S/C15H18N2/c1-2-5-12-6-3-4-7-14(12)13-8-10-15(16,17)11-9-13/h2-4,6-10H,1,5,11,16-17H2
InChIKeyQUQUENMYJSCNIE-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.37
Rot. Bonds3

About 4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine

4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine (PubChem CID 174870617) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine.

Molecular Properties

Compound Name4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine
PubChem CID174870617
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine
SMILESC=CCc1ccccc1C1=CCC(N)(N)C=C1
InChIInChI=1S/C15H18N2/c1-2-5-12-6-3-4-7-14(12)13-8-10-15(16,17)11-9-13/h2-4,6-10H,1,5,11,16-17H2
InChIKeyQUQUENMYJSCNIE-UHFFFAOYSA-N
XLogP2.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4-diaminocyclohexa-1,5-dien-1-yl)phenol
CID 174821956
4-(2,3-dichlorophenyl)cyclohexa-2,4-diene-1,1-diamine;methane
CID 174668389
1-phenyl-2-prop-2-enylbenzene;stilbene
CID 173298564
formic acid;1-phenyl-2-prop-2-enylbenzene
CID 174921582
4-[2-(methoxymethyl)phenyl]cyclohexa-2,4-diene-1,1-diol
CID 175024223
9-amino-1-prop-2-enylfluorene-9-carboxamide
CID 70447906
1-benzyl-2-(2-prop-2-enylphenyl)benzene
CID 173274137
1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene
CID 173365962
2-[2-[4-[1-amino-4-(4-aminophenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]ethanol
CID 139831884
2-prop-2-enylaniline
CID 3036592
4-prop-2-enylinden-1-one
CID 140984036
4-(4-phenylphenyl)-1-prop-2-enylcyclohexa-2,4-diene-1-carbonitrile
CID 67941375

Frequently Asked Questions

What is the IUPAC name of 4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine?
The IUPAC name of 4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine (CID 174870617) is 4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine.
What is the SMILES notation for 4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine?
The canonical SMILES for 4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine is C=CCc1ccccc1C1=CCC(N)(N)C=C1.
What is the InChIKey of 4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine?
The InChIKey is QUQUENMYJSCNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-5-12-6-3-4-7-14(12)13-8-10-15(16,17)11-9-13/h2-4,6-10H,1,5,11,16-17H2.
What are the key properties of 4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine?
4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine has a molecular weight of 226.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-prop-2-enylphenyl)cyclohexa-2,4-diene-1,1-diamine is sourced from PubChem (CID 174870617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).