6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

C28H35N7 — CID 14950907

IUPAC6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C28H35N7/c1-3-16-29-26-31-27(30-17-4-2)33-28(32-26)35-21-19-34(20-22-35)18-15-25(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h3-14,25H,1-2,15-22H2,(H2,29,30,31,32,33)
InChIKeyBIHXKFMTTVBNIS-UHFFFAOYSA-N
MW469.64 g/mol
LogP4.41
Rot. Bonds12

About 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 14950907) has the molecular formula C28H35N7 and a molecular weight of 469.64 g/mol. Its IUPAC name is 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID14950907
Molecular FormulaC28H35N7
Molecular Weight469.64 g/mol
Exact Mass469.30
IUPAC Name6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C28H35N7/c1-3-16-29-26-31-27(30-17-4-2)33-28(32-26)35-21-19-34(20-22-35)18-15-25(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h3-14,25H,1-2,15-22H2,(H2,29,30,31,32,33)
InChIKeyBIHXKFMTTVBNIS-UHFFFAOYSA-N
XLogP4.41
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.64
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 14950907) is 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC=C)nc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)n1.
What is the InChIKey of 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BIHXKFMTTVBNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7/c1-3-16-29-26-31-27(30-17-4-2)33-28(32-26)35-21-19-34(20-22-35)18-15-25(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h3-14,25H,1-2,15-22H2,(H2,29,30,31,32,33).
What are the key properties of 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 469.64 g/mol, XLogP of 4.41, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14950907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).