6-(4-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

C14H23N7 — CID 13271703

IUPAC6-(4-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(N)CC2)n1
InChIInChI=1S/C14H23N7/c1-3-7-16-12-18-13(17-8-4-2)20-14(19-12)21-9-5-11(15)6-10-21/h3-4,11H,1-2,5-10,15H2,(H2,16,17,18,19,20)
InChIKeyYUPVIYXEVWZKBV-UHFFFAOYSA-N
MW289.39 g/mol
LogP0.99
Rot. Bonds7

About 6-(4-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

6-(4-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 13271703) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID13271703
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name6-(4-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(N)CC2)n1
InChIInChI=1S/C14H23N7/c1-3-7-16-12-18-13(17-8-4-2)20-14(19-12)21-9-5-11(15)6-10-21/h3-4,11H,1-2,5-10,15H2,(H2,16,17,18,19,20)
InChIKeyYUPVIYXEVWZKBV-UHFFFAOYSA-N
XLogP0.99
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.99
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-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 13271703) is 6-(4-aminopiperidin-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-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC=C)nc(N2CCC(N)CC2)n1.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YUPVIYXEVWZKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-3-7-16-12-18-13(17-8-4-2)20-14(19-12)21-9-5-11(15)6-10-21/h3-4,11H,1-2,5-10,15H2,(H2,16,17,18,19,20).
What are the key properties of 6-(4-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-(4-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 289.39 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 13271703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).