6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine

C15H24ClN5 — CID 101229509

IUPAC6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCCCCNc1nc(Cl)nc(NCCCCC=C)n1
InChIInChI=1S/C15H24ClN5/c1-3-5-7-9-11-17-14-19-13(16)20-15(21-14)18-12-10-8-6-4-2/h3-4H,1-2,5-12H2,(H2,17,18,19,20,21)
InChIKeyTXTKDTGJQMLZFR-UHFFFAOYSA-N
MW309.85 g/mol
LogP4.06
Rot. Bonds12

About 6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 101229509) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID101229509
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC Name6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCCCCNc1nc(Cl)nc(NCCCCC=C)n1
InChIInChI=1S/C15H24ClN5/c1-3-5-7-9-11-17-14-19-13(16)20-15(21-14)18-12-10-8-6-4-2/h3-4H,1-2,5-12H2,(H2,17,18,19,20,21)
InChIKeyTXTKDTGJQMLZFR-UHFFFAOYSA-N
XLogP4.06
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine (CID 101229509) is 6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine is C=CCCCCNc1nc(Cl)nc(NCCCCC=C)n1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is TXTKDTGJQMLZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-3-5-7-9-11-17-14-19-13(16)20-15(21-14)18-12-10-8-6-4-2/h3-4H,1-2,5-12H2,(H2,17,18,19,20,21).
What are the key properties of 6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 309.85 g/mol, XLogP of 4.06, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 101229509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).