N-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine

C9H16N4 — CID 142666552

IUPACN-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine
SMILESCCCCNCCc1ncncn1
InChIInChI=1S/C9H16N4/c1-2-3-5-10-6-4-9-12-7-11-8-13-9/h7-8,10H,2-6H2,1H3
InChIKeyVTIKRPFEKSTUFI-UHFFFAOYSA-N
MW180.26 g/mol
LogP0.80
Rot. Bonds6

About N-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine

N-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine (PubChem CID 142666552) has the molecular formula C9H16N4 and a molecular weight of 180.26 g/mol. Its IUPAC name is N-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine
PubChem CID142666552
Molecular FormulaC9H16N4
Molecular Weight180.26 g/mol
Exact Mass180.14
IUPAC NameN-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine
SMILESCCCCNCCc1ncncn1
InChIInChI=1S/C9H16N4/c1-2-3-5-10-6-4-9-12-7-11-8-13-9/h7-8,10H,2-6H2,1H3
InChIKeyVTIKRPFEKSTUFI-UHFFFAOYSA-N
XLogP0.80
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine?
The IUPAC name of N-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine (CID 142666552) is N-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for N-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine?
The canonical SMILES for N-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine is CCCCNCCc1ncncn1.
What is the InChIKey of N-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine?
The InChIKey is VTIKRPFEKSTUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-3-5-10-6-4-9-12-7-11-8-13-9/h7-8,10H,2-6H2,1H3.
What are the key properties of N-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine?
N-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine has a molecular weight of 180.26 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3,5-triazin-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 142666552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).