4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine

C16H24N2 — CID 87682930

IUPAC4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine
SMILESC=Cc1cc(C=C)c(N)c(C(C)CC(C)C)c1N
InChIInChI=1S/C16H24N2/c1-6-12-9-13(7-2)16(18)14(15(12)17)11(5)8-10(3)4/h6-7,9-11H,1-2,8,17-18H2,3-5H3
InChIKeyQTFQRSSWDTVYEH-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.29
Rot. Bonds5

About 4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine

4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine (PubChem CID 87682930) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine
PubChem CID87682930
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine
SMILESC=Cc1cc(C=C)c(N)c(C(C)CC(C)C)c1N
InChIInChI=1S/C16H24N2/c1-6-12-9-13(7-2)16(18)14(15(12)17)11(5)8-10(3)4/h6-7,9-11H,1-2,8,17-18H2,3-5H3
InChIKeyQTFQRSSWDTVYEH-UHFFFAOYSA-N
XLogP4.29
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine?
The IUPAC name of 4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine (CID 87682930) is 4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine?
The canonical SMILES for 4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine is C=Cc1cc(C=C)c(N)c(C(C)CC(C)C)c1N.
What is the InChIKey of 4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine?
The InChIKey is QTFQRSSWDTVYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-6-12-9-13(7-2)16(18)14(15(12)17)11(5)8-10(3)4/h6-7,9-11H,1-2,8,17-18H2,3-5H3.
What are the key properties of 4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine?
4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine has a molecular weight of 244.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(ethenyl)-2-(4-methylpentan-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 87682930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).