2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine

C14H25N7 — CID 67592949

IUPAC2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine
SMILESNCCNc1nc(NCCN)nc(C23CCC(CC2)C3)n1
InChIInChI=1S/C14H25N7/c15-5-7-17-12-19-11(20-13(21-12)18-8-6-16)14-3-1-10(9-14)2-4-14/h10H,1-9,15-16H2,(H2,17,18,19,20,21)
InChIKeyCVXHVPSZUDIXTE-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.44
Rot. Bonds7

About 2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine (PubChem CID 67592949) has the molecular formula C14H25N7 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine
PubChem CID67592949
Molecular FormulaC14H25N7
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Name2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine
SMILESNCCNc1nc(NCCN)nc(C23CCC(CC2)C3)n1
InChIInChI=1S/C14H25N7/c15-5-7-17-12-19-11(20-13(21-12)18-8-6-16)14-3-1-10(9-14)2-4-14/h10H,1-9,15-16H2,(H2,17,18,19,20,21)
InChIKeyCVXHVPSZUDIXTE-UHFFFAOYSA-N
XLogP0.44
TPSA114.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine (CID 67592949) is 2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine is NCCNc1nc(NCCN)nc(C23CCC(CC2)C3)n1.
What is the InChIKey of 2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CVXHVPSZUDIXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N7/c15-5-7-17-12-19-11(20-13(21-12)18-8-6-16)14-3-1-10(9-14)2-4-14/h10H,1-9,15-16H2,(H2,17,18,19,20,21).
What are the key properties of 2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 291.40 g/mol, XLogP of 0.44, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2-aminoethyl)-6-(1-bicyclo[2.2.1]heptanyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67592949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).