N-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine

C17H28N4 — CID 175096673

IUPACN-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine
SMILESC=CCc1nc(CC=C)nc(NCCCCCCCC)n1
InChIInChI=1S/C17H28N4/c1-4-7-8-9-10-11-14-18-17-20-15(12-5-2)19-16(21-17)13-6-3/h5-6H,2-4,7-14H2,1H3,(H,18,19,20,21)
InChIKeyHZTFEKBFPIBJBZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.10
Rot. Bonds12

About N-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine

N-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine (PubChem CID 175096673) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine
PubChem CID175096673
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine
SMILESC=CCc1nc(CC=C)nc(NCCCCCCCC)n1
InChIInChI=1S/C17H28N4/c1-4-7-8-9-10-11-14-18-17-20-15(12-5-2)19-16(21-17)13-6-3/h5-6H,2-4,7-14H2,1H3,(H,18,19,20,21)
InChIKeyHZTFEKBFPIBJBZ-UHFFFAOYSA-N
XLogP4.10
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[[4-(hydroxymethylamino)-6-(octadecylamino)-1,3,5-triazin-2-yl]amino]methanol
CID 158284929
2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
CID 68586329
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
4,6-bis(hexylsulfanyl)-N-pentyl-1,3,5-triazin-2-amine
CID 19935568
N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine
CID 58841533
4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine
CID 134109285
4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine
CID 87963058
5,6-diethyl-N-octyl-1,2,4-triazin-3-amine
CID 105362763
N-prop-2-enyltridecan-1-amine
CID 22467882
4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 80786527

Frequently Asked Questions

What is the IUPAC name of N-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine (CID 175096673) is N-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine is C=CCc1nc(CC=C)nc(NCCCCCCCC)n1.
What is the InChIKey of N-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The InChIKey is HZTFEKBFPIBJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-7-8-9-10-11-14-18-17-20-15(12-5-2)19-16(21-17)13-6-3/h5-6H,2-4,7-14H2,1H3,(H,18,19,20,21).
What are the key properties of N-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
N-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine has a molecular weight of 288.44 g/mol, XLogP of 4.10, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-4,6-bis(prop-2-enyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 175096673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).