6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine

C14H25N5 — CID 176521469

IUPAC6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine
SMILES[H]/N=C1\NC(N)=NC(CC=C)(CC=C)N1CCCCC
InChIInChI=1S/C14H25N5/c1-4-7-8-11-19-13(16)17-12(15)18-14(19,9-5-2)10-6-3/h5-6H,2-4,7-11H2,1H3,(H4,15,16,17,18)
InChIKeyHUQCOGFKDNARNP-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.18
Rot. Bonds8

About 6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine

6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine (PubChem CID 176521469) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine
PubChem CID176521469
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine
SMILES[H]/N=C1\NC(N)=NC(CC=C)(CC=C)N1CCCCC
InChIInChI=1S/C14H25N5/c1-4-7-8-11-19-13(16)17-12(15)18-14(19,9-5-2)10-6-3/h5-6H,2-4,7-11H2,1H3,(H4,15,16,17,18)
InChIKeyHUQCOGFKDNARNP-UHFFFAOYSA-N
XLogP2.18
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine?
The IUPAC name of 6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine (CID 176521469) is 6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine.
What is the SMILES notation for 6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine?
The canonical SMILES for 6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine is [H]/N=C1\NC(N)=NC(CC=C)(CC=C)N1CCCCC.
What is the InChIKey of 6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine?
The InChIKey is HUQCOGFKDNARNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-4-7-8-11-19-13(16)17-12(15)18-14(19,9-5-2)10-6-3/h5-6H,2-4,7-11H2,1H3,(H4,15,16,17,18).
What are the key properties of 6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine?
6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine has a molecular weight of 263.39 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-5-pentyl-4,4-bis(prop-2-enyl)-1H-1,3,5-triazin-2-amine is sourced from PubChem (CID 176521469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).