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

C16H27N7 — CID 56618423

IUPAC6-[4-(ethylamino)piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(NCC)CC2)n1
InChIInChI=1S/C16H27N7/c1-4-9-18-14-20-15(19-10-5-2)22-16(21-14)23-11-7-13(8-12-23)17-6-3/h4-5,13,17H,1-2,6-12H2,3H3,(H2,18,19,20,21,22)
InChIKeyGRDAJFNXIWHVQY-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.65
Rot. Bonds9

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

6-[4-(ethylamino)piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 56618423) has the molecular formula C16H27N7 and a molecular weight of 317.44 g/mol. Its IUPAC name is 6-[4-(ethylamino)piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(ethylamino)piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID56618423
Molecular FormulaC16H27N7
Molecular Weight317.44 g/mol
Exact Mass317.23
IUPAC Name6-[4-(ethylamino)piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(NCC)CC2)n1
InChIInChI=1S/C16H27N7/c1-4-9-18-14-20-15(19-10-5-2)22-16(21-14)23-11-7-13(8-12-23)17-6-3/h4-5,13,17H,1-2,6-12H2,3H3,(H2,18,19,20,21,22)
InChIKeyGRDAJFNXIWHVQY-UHFFFAOYSA-N
XLogP1.65
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.65
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 6-[4-(ethylamino)piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(ethylamino)piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 56618423) is 6-[4-(ethylamino)piperidin-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-(ethylamino)piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(ethylamino)piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC=C)nc(N2CCC(NCC)CC2)n1.
What is the InChIKey of 6-[4-(ethylamino)piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GRDAJFNXIWHVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N7/c1-4-9-18-14-20-15(19-10-5-2)22-16(21-14)23-11-7-13(8-12-23)17-6-3/h4-5,13,17H,1-2,6-12H2,3H3,(H2,18,19,20,21,22).
What are the key properties of 6-[4-(ethylamino)piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-[4-(ethylamino)piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 317.44 g/mol, XLogP of 1.65, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(ethylamino)piperidin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56618423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).