2-N,4-N-bis(2-methylpropyl)-6-(2-propan-2-ylhydrazinyl)-1,3,5-triazine-2,4-diamine

C14H29N7 — CID 158875009

IUPAC2-N,4-N-bis(2-methylpropyl)-6-(2-propan-2-ylhydrazinyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)CNc1nc(NCC(C)C)nc(NNC(C)C)n1
InChIInChI=1S/C14H29N7/c1-9(2)7-15-12-17-13(16-8-10(3)4)19-14(18-12)21-20-11(5)6/h9-11,20H,7-8H2,1-6H3,(H3,15,16,17,18,19,21)
InChIKeyJCIBFOLCFXXCMY-UHFFFAOYSA-N
MW295.44 g/mol
LogP2.33
Rot. Bonds9

About 2-N,4-N-bis(2-methylpropyl)-6-(2-propan-2-ylhydrazinyl)-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(2-methylpropyl)-6-(2-propan-2-ylhydrazinyl)-1,3,5-triazine-2,4-diamine (PubChem CID 158875009) has the molecular formula C14H29N7 and a molecular weight of 295.44 g/mol. Its IUPAC name is 2-N,4-N-bis(2-methylpropyl)-6-(2-propan-2-ylhydrazinyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2-methylpropyl)-6-(2-propan-2-ylhydrazinyl)-1,3,5-triazine-2,4-diamine
PubChem CID158875009
Molecular FormulaC14H29N7
Molecular Weight295.44 g/mol
Exact Mass295.25
IUPAC Name2-N,4-N-bis(2-methylpropyl)-6-(2-propan-2-ylhydrazinyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)CNc1nc(NCC(C)C)nc(NNC(C)C)n1
InChIInChI=1S/C14H29N7/c1-9(2)7-15-12-17-13(16-8-10(3)4)19-14(18-12)21-20-11(5)6/h9-11,20H,7-8H2,1-6H3,(H3,15,16,17,18,19,21)
InChIKeyJCIBFOLCFXXCMY-UHFFFAOYSA-N
XLogP2.33
TPSA86.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-methylpropyl)-6-(2-propan-2-ylhydrazinyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2-methylpropyl)-6-(2-propan-2-ylhydrazinyl)-1,3,5-triazine-2,4-diamine (CID 158875009) is 2-N,4-N-bis(2-methylpropyl)-6-(2-propan-2-ylhydrazinyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2-methylpropyl)-6-(2-propan-2-ylhydrazinyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2-methylpropyl)-6-(2-propan-2-ylhydrazinyl)-1,3,5-triazine-2,4-diamine is CC(C)CNc1nc(NCC(C)C)nc(NNC(C)C)n1.
What is the InChIKey of 2-N,4-N-bis(2-methylpropyl)-6-(2-propan-2-ylhydrazinyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JCIBFOLCFXXCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N7/c1-9(2)7-15-12-17-13(16-8-10(3)4)19-14(18-12)21-20-11(5)6/h9-11,20H,7-8H2,1-6H3,(H3,15,16,17,18,19,21).
What are the key properties of 2-N,4-N-bis(2-methylpropyl)-6-(2-propan-2-ylhydrazinyl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(2-methylpropyl)-6-(2-propan-2-ylhydrazinyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 295.44 g/mol, XLogP of 2.33, 9 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-methylpropyl)-6-(2-propan-2-ylhydrazinyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158875009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).