2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine

C18H24N2 — CID 175218179

IUPAC2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine
SMILESC=CCc1c(N)c(CC=C)c(CC=C)c(N)c1CC=C
InChIInChI=1S/C18H24N2/c1-5-9-13-14(10-6-2)18(20)16(12-8-4)15(11-7-3)17(13)19/h5-8H,1-4,9-12,19-20H2
InChIKeyXZFCPNUYNSWMMM-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.77
Rot. Bonds8

About 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine

2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine (PubChem CID 175218179) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine
PubChem CID175218179
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine
SMILESC=CCc1c(N)c(CC=C)c(CC=C)c(N)c1CC=C
InChIInChI=1S/C18H24N2/c1-5-9-13-14(10-6-2)18(20)16(12-8-4)15(11-7-3)17(13)19/h5-8H,1-4,9-12,19-20H2
InChIKeyXZFCPNUYNSWMMM-UHFFFAOYSA-N
XLogP3.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline
CID 87817212
2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol
CID 11437162
3,4-dichloro-2,6-bis(prop-2-enyl)aniline
CID 88739383
1,2,3,4,8,9,10,11-octakis(prop-2-enyl)pentacene
CID 173235726
7-amino-2-prop-2-enyl-6-oxabicyclo[3.1.1]hepta-1,3,5(7)-trien-3-ol
CID 141078452
3-amino-2,6-bis(prop-2-enyl)phenol
CID 158258478
4-[[4-amino-3,5-bis(prop-2-enyl)phenyl]methyl]-2,6-bis(prop-2-enyl)aniline
CID 66694747
3-amino-4-prop-2-enyl-1H-quinolin-2-one
CID 67155739
2-nitro-3-prop-2-enylbenzene-1,4-diamine
CID 123223828
1,2,4,5-tetrafluoro-3-prop-2-enylbenzene
CID 12944006
3-amino-2-prop-2-enylbenzoic acid
CID 66692931
(4,5-dimethyl-3-prop-2-enylthiophen-2-yl)-trimethylsilane
CID 174932900

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine?
The IUPAC name of 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine (CID 175218179) is 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine.
What is the SMILES notation for 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine?
The canonical SMILES for 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine is C=CCc1c(N)c(CC=C)c(CC=C)c(N)c1CC=C.
What is the InChIKey of 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine?
The InChIKey is XZFCPNUYNSWMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-5-9-13-14(10-6-2)18(20)16(12-8-4)15(11-7-3)17(13)19/h5-8H,1-4,9-12,19-20H2.
What are the key properties of 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine?
2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diamine is sourced from PubChem (CID 175218179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).