1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine

C8H15N5 — CID 68969857

IUPAC1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
SMILESCc1nc(C(C)N)nc(C(C)N)n1
InChIInChI=1S/C8H15N5/c1-4(9)7-11-6(3)12-8(13-7)5(2)10/h4-5H,9-10H2,1-3H3
InChIKeyINMSFAQXCRGZIG-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.22
Rot. Bonds2

About 1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine

1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine (PubChem CID 68969857) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
PubChem CID68969857
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
SMILESCc1nc(C(C)N)nc(C(C)N)n1
InChIInChI=1S/C8H15N5/c1-4(9)7-11-6(3)12-8(13-7)5(2)10/h4-5H,9-10H2,1-3H3
InChIKeyINMSFAQXCRGZIG-UHFFFAOYSA-N
XLogP0.22
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The IUPAC name of 1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine (CID 68969857) is 1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine is Cc1nc(C(C)N)nc(C(C)N)n1.
What is the InChIKey of 1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The InChIKey is INMSFAQXCRGZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-4(9)7-11-6(3)12-8(13-7)5(2)10/h4-5H,9-10H2,1-3H3.
What are the key properties of 1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine has a molecular weight of 181.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine is sourced from PubChem (CID 68969857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).