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

C18H30N6O — CID 56616677

IUPAC6-(4-butoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(OCCCC)CC2)n1
InChIInChI=1S/C18H30N6O/c1-4-7-14-25-15-8-12-24(13-9-15)18-22-16(19-10-5-2)21-17(23-18)20-11-6-3/h5-6,15H,2-4,7-14H2,1H3,(H2,19,20,21,22,23)
InChIKeyCFTVWEQKYCAZRO-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.85
Rot. Bonds11

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

6-(4-butoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 56616677) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-(4-butoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-butoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID56616677
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name6-(4-butoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(OCCCC)CC2)n1
InChIInChI=1S/C18H30N6O/c1-4-7-14-25-15-8-12-24(13-9-15)18-22-16(19-10-5-2)21-17(23-18)20-11-6-3/h5-6,15H,2-4,7-14H2,1H3,(H2,19,20,21,22,23)
InChIKeyCFTVWEQKYCAZRO-UHFFFAOYSA-N
XLogP2.85
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-butoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-butoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 56616677) is 6-(4-butoxypiperidin-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-butoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-butoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC=C)nc(N2CCC(OCCCC)CC2)n1.
What is the InChIKey of 6-(4-butoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CFTVWEQKYCAZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c1-4-7-14-25-15-8-12-24(13-9-15)18-22-16(19-10-5-2)21-17(23-18)20-11-6-3/h5-6,15H,2-4,7-14H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 6-(4-butoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-(4-butoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 346.48 g/mol, XLogP of 2.85, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56616677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).