1-tert-butyl-N-methyl-1,3-diazinan-2-imine

C9H19N3 — CID 135975666

IUPAC1-tert-butyl-N-methyl-1,3-diazinan-2-imine
SMILESC/N=C1\NCCCN1C(C)(C)C
InChIInChI=1S/C9H19N3/c1-9(2,3)12-7-5-6-11-8(12)10-4/h5-7H2,1-4H3,(H,10,11)
InChIKeyKXCCLOOMIUUOJJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.07
Rot. Bonds

About 1-tert-butyl-N-methyl-1,3-diazinan-2-imine

1-tert-butyl-N-methyl-1,3-diazinan-2-imine (PubChem CID 135975666) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-tert-butyl-N-methyl-1,3-diazinan-2-imine.

Molecular Properties

Compound Name1-tert-butyl-N-methyl-1,3-diazinan-2-imine
PubChem CID135975666
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-tert-butyl-N-methyl-1,3-diazinan-2-imine
SMILESC/N=C1\NCCCN1C(C)(C)C
InChIInChI=1S/C9H19N3/c1-9(2,3)12-7-5-6-11-8(12)10-4/h5-7H2,1-4H3,(H,10,11)
InChIKeyKXCCLOOMIUUOJJ-UHFFFAOYSA-N
XLogP1.07
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-methyl-1,3-diazinan-2-imine?
The IUPAC name of 1-tert-butyl-N-methyl-1,3-diazinan-2-imine (CID 135975666) is 1-tert-butyl-N-methyl-1,3-diazinan-2-imine.
What is the SMILES notation for 1-tert-butyl-N-methyl-1,3-diazinan-2-imine?
The canonical SMILES for 1-tert-butyl-N-methyl-1,3-diazinan-2-imine is C/N=C1\NCCCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-N-methyl-1,3-diazinan-2-imine?
The InChIKey is KXCCLOOMIUUOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-9(2,3)12-7-5-6-11-8(12)10-4/h5-7H2,1-4H3,(H,10,11).
What are the key properties of 1-tert-butyl-N-methyl-1,3-diazinan-2-imine?
1-tert-butyl-N-methyl-1,3-diazinan-2-imine has a molecular weight of 169.27 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-methyl-1,3-diazinan-2-imine is sourced from PubChem (CID 135975666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).