2-N,4-N-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]-1,3,5-triazine-2,4-diamine

C29H35N7 — CID 14950941

IUPAC2-N,4-N-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(NC3c4ccccc4CCc4ccccc43)CC2)n1
InChIInChI=1S/C29H35N7/c1-3-17-30-27-33-28(31-18-4-2)35-29(34-27)36-19-15-23(16-20-36)32-26-24-11-7-5-9-21(24)13-14-22-10-6-8-12-25(22)26/h3-12,23,26,32H,1-2,13-20H2,(H2,30,31,33,34,35)
InChIKeyUDFNASCXFITTGE-UHFFFAOYSA-N
MW481.65 g/mol
LogP4.51
Rot. Bonds9

About 2-N,4-N-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 14950941) has the molecular formula C29H35N7 and a molecular weight of 481.65 g/mol. Its IUPAC name is 2-N,4-N-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID14950941
Molecular FormulaC29H35N7
Molecular Weight481.65 g/mol
Exact Mass481.30
IUPAC Name2-N,4-N-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(NC3c4ccccc4CCc4ccccc43)CC2)n1
InChIInChI=1S/C29H35N7/c1-3-17-30-27-33-28(31-18-4-2)35-29(34-27)36-19-15-23(16-20-36)32-26-24-11-7-5-9-21(24)13-14-22-10-6-8-12-25(22)26/h3-12,23,26,32H,1-2,13-20H2,(H2,30,31,33,34,35)
InChIKeyUDFNASCXFITTGE-UHFFFAOYSA-N
XLogP4.51
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.65
LogP ≤ 54.51
H-Bond Donors ≤ 53
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 2-N,4-N-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]-1,3,5-triazine-2,4-diamine (CID 14950941) is 2-N,4-N-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC=C)nc(N2CCC(NC3c4ccccc4CCc4ccccc43)CC2)n1.
What is the InChIKey of 2-N,4-N-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UDFNASCXFITTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7/c1-3-17-30-27-33-28(31-18-4-2)35-29(34-27)36-19-15-23(16-20-36)32-26-24-11-7-5-9-21(24)13-14-22-10-6-8-12-25(22)26/h3-12,23,26,32H,1-2,13-20H2,(H2,30,31,33,34,35).
What are the key properties of 2-N,4-N-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 481.65 g/mol, XLogP of 4.51, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(prop-2-enyl)-6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)piperidin-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14950941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).