1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane

C10H23N3 — CID 15402375

IUPAC1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane
SMILESCC(C)N1CN(C)CN(C(C)C)C1
InChIInChI=1S/C10H23N3/c1-9(2)12-6-11(5)7-13(8-12)10(3)4/h9-10H,6-8H2,1-5H3
InChIKeyDYDBRJXCQXOQRZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.23
Rot. Bonds2

About 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane

1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane (PubChem CID 15402375) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane.

Molecular Properties

Compound Name1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane
PubChem CID15402375
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane
SMILESCC(C)N1CN(C)CN(C(C)C)C1
InChIInChI=1S/C10H23N3/c1-9(2)12-6-11(5)7-13(8-12)10(3)4/h9-10H,6-8H2,1-5H3
InChIKeyDYDBRJXCQXOQRZ-UHFFFAOYSA-N
XLogP1.23
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane?
The IUPAC name of 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane (CID 15402375) is 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane.
What is the SMILES notation for 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane?
The canonical SMILES for 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane is CC(C)N1CN(C)CN(C(C)C)C1.
What is the InChIKey of 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane?
The InChIKey is DYDBRJXCQXOQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-9(2)12-6-11(5)7-13(8-12)10(3)4/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane?
1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane has a molecular weight of 185.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-di(propan-2-yl)-1,3,5-triazinane is sourced from PubChem (CID 15402375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).