ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene

C19H36N4 — CID 143387519

IUPACethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene
SMILESC=C.C=C/C(=C\CC)Nc1ncnc(C)n1.C=CC.CC.CC
InChIInChI=1S/C10H14N4.C3H6.2C2H6.C2H4/c1-4-6-9(5-2)14-10-12-7-11-8(3)13-10;1-3-2;3*1-2/h5-7H,2,4H2,1,3H3,(H,11,12,13,14);3H,1H2,2H3;2*1-2H3;1-2H2/b9-6+;;;;
InChIKeyQQQPUOQWSKFEIY-MPMAQEBPSA-N
MW320.53 g/mol
LogP6.12
Rot. Bonds4

About ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene

ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene (PubChem CID 143387519) has the molecular formula C19H36N4 and a molecular weight of 320.53 g/mol. Its IUPAC name is ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene.

Molecular Properties

Compound Nameethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene
PubChem CID143387519
Molecular FormulaC19H36N4
Molecular Weight320.53 g/mol
Exact Mass320.29
IUPAC Nameethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene
SMILESC=C.C=C/C(=C\CC)Nc1ncnc(C)n1.C=CC.CC.CC
InChIInChI=1S/C10H14N4.C3H6.2C2H6.C2H4/c1-4-6-9(5-2)14-10-12-7-11-8(3)13-10;1-3-2;3*1-2/h5-7H,2,4H2,1,3H3,(H,11,12,13,14);3H,1H2,2H3;2*1-2H3;1-2H2/b9-6+;;;;
InChIKeyQQQPUOQWSKFEIY-MPMAQEBPSA-N
XLogP6.12
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.53
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene?
The IUPAC name of ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene (CID 143387519) is ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene.
What is the SMILES notation for ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene?
The canonical SMILES for ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene is C=C.C=C/C(=C\CC)Nc1ncnc(C)n1.C=CC.CC.CC.
What is the InChIKey of ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene?
The InChIKey is QQQPUOQWSKFEIY-MPMAQEBPSA-N. The full InChI is InChI=1S/C10H14N4.C3H6.2C2H6.C2H4/c1-4-6-9(5-2)14-10-12-7-11-8(3)13-10;1-3-2;3*1-2/h5-7H,2,4H2,1,3H3,(H,11,12,13,14);3H,1H2,2H3;2*1-2H3;1-2H2/b9-6+;;;;.
What are the key properties of ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene?
ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene has a molecular weight of 320.53 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;N-[(3E)-hexa-1,3-dien-3-yl]-4-methyl-1,3,5-triazin-2-amine;prop-1-ene is sourced from PubChem (CID 143387519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).