2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine

C17H31N7 — CID 173305313

IUPAC2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESc1nc(NCCN2CCCCC2)nc(NCCN2CCCCC2)n1
InChIInChI=1S/C17H31N7/c1-3-9-23(10-4-1)13-7-18-16-20-15-21-17(22-16)19-8-14-24-11-5-2-6-12-24/h15H,1-14H2,(H2,18,19,20,21,22)
InChIKeyMZDCKKHHUYWZOG-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.67
Rot. Bonds8

About 2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 173305313) has the molecular formula C17H31N7 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID173305313
Molecular FormulaC17H31N7
Molecular Weight333.48 g/mol
Exact Mass333.26
IUPAC Name2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESc1nc(NCCN2CCCCC2)nc(NCCN2CCCCC2)n1
InChIInChI=1S/C17H31N7/c1-3-9-23(10-4-1)13-7-18-16-20-15-21-17(22-16)19-8-14-24-11-5-2-6-12-24/h15H,1-14H2,(H2,18,19,20,21,22)
InChIKeyMZDCKKHHUYWZOG-UHFFFAOYSA-N
XLogP1.67
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine (CID 173305313) is 2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine is c1nc(NCCN2CCCCC2)nc(NCCN2CCCCC2)n1.
What is the InChIKey of 2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MZDCKKHHUYWZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7/c1-3-9-23(10-4-1)13-7-18-16-20-15-21-17(22-16)19-8-14-24-11-5-2-6-12-24/h15H,1-14H2,(H2,18,19,20,21,22).
What are the key properties of 2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 333.48 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 173305313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).