2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine

C9H17N5 — CID 165354953

IUPAC2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCCC(C)CN(C)c1ncnc(N)n1
InChIInChI=1S/C9H17N5/c1-4-7(2)5-14(3)9-12-6-11-8(10)13-9/h6-7H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyKQMBOSFRWVISEZ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.94
Rot. Bonds4

About 2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine

2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 165354953) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
PubChem CID165354953
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCCC(C)CN(C)c1ncnc(N)n1
InChIInChI=1S/C9H17N5/c1-4-7(2)5-14(3)9-12-6-11-8(10)13-9/h6-7H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyKQMBOSFRWVISEZ-UHFFFAOYSA-N
XLogP0.94
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine (CID 165354953) is 2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine is CCC(C)CN(C)c1ncnc(N)n1.
What is the InChIKey of 2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KQMBOSFRWVISEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-4-7(2)5-14(3)9-12-6-11-8(10)13-9/h6-7H,4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine?
2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 195.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 165354953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).