4-methyl-N-pentyl-1,3,5-triazin-2-amine

C9H16N4 — CID 22089282

IUPAC4-methyl-N-pentyl-1,3,5-triazin-2-amine
SMILESCCCCCNc1ncnc(C)n1
InChIInChI=1S/C9H16N4/c1-3-4-5-6-10-9-12-7-11-8(2)13-9/h7H,3-6H2,1-2H3,(H,10,11,12,13)
InChIKeyJTTASLRQJRMNBR-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.78
Rot. Bonds5

About 4-methyl-N-pentyl-1,3,5-triazin-2-amine

4-methyl-N-pentyl-1,3,5-triazin-2-amine (PubChem CID 22089282) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methyl-N-pentyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-N-pentyl-1,3,5-triazin-2-amine
PubChem CID22089282
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name4-methyl-N-pentyl-1,3,5-triazin-2-amine
SMILESCCCCCNc1ncnc(C)n1
InChIInChI=1S/C9H16N4/c1-3-4-5-6-10-9-12-7-11-8(2)13-9/h7H,3-6H2,1-2H3,(H,10,11,12,13)
InChIKeyJTTASLRQJRMNBR-UHFFFAOYSA-N
XLogP1.78
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.78
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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Related Compounds

s-Triazine, 2,4-bis(isopropylamino)-6-propyl-
CID 33411
6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 44370889
6-methyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 33379
2-N,4-N-dibutyl-1,3,5-triazine-2,4-diamine
CID 53759306
N-pentyl-1,3,5-triazin-2-amine
CID 66709572
6-(2-fluoropropan-2-yl)-2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 70187892
2-N,4-N,6-triethyl-1,3,5-triazine-2,4-diamine
CID 33404
Methyl(isopropylamino)-sym-triazine
CID 22444768
4-methyl-N-pentyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 100966797
N~2~-Butyl-6-tridecyl-1,3,5-triazine-2,4-diamine
CID 314591
N~2~-Butyl-6-undecyl-1,3,5-triazine-2,4-diamine
CID 314592
N-Butyl-6-nonyl-1,3,5-triazine-2,4-diamine
CID 316301

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pentyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-N-pentyl-1,3,5-triazin-2-amine (CID 22089282) is 4-methyl-N-pentyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-N-pentyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-N-pentyl-1,3,5-triazin-2-amine is CCCCCNc1ncnc(C)n1.
What is the InChIKey of 4-methyl-N-pentyl-1,3,5-triazin-2-amine?
The InChIKey is JTTASLRQJRMNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-4-5-6-10-9-12-7-11-8(2)13-9/h7H,3-6H2,1-2H3,(H,10,11,12,13).
What are the key properties of 4-methyl-N-pentyl-1,3,5-triazin-2-amine?
4-methyl-N-pentyl-1,3,5-triazin-2-amine has a molecular weight of 180.25 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pentyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 22089282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).