1,3-dimethyl-1,3-diazinan-2-amine

C6H15N3 — CID 123639492

IUPAC1,3-dimethyl-1,3-diazinan-2-amine
SMILESCN1CCCN(C)C1N
InChIInChI=1S/C6H15N3/c1-8-4-3-5-9(2)6(8)7/h6H,3-5,7H2,1-2H3
InChIKeyCNSSBEYDUAPHPC-UHFFFAOYSA-N
MW129.21 g/mol
LogP-0.50
Rot. Bonds

About 1,3-dimethyl-1,3-diazinan-2-amine

1,3-dimethyl-1,3-diazinan-2-amine (PubChem CID 123639492) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-diazinan-2-amine.

Molecular Properties

Compound Name1,3-dimethyl-1,3-diazinan-2-amine
PubChem CID123639492
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name1,3-dimethyl-1,3-diazinan-2-amine
SMILESCN1CCCN(C)C1N
InChIInChI=1S/C6H15N3/c1-8-4-3-5-9(2)6(8)7/h6H,3-5,7H2,1-2H3
InChIKeyCNSSBEYDUAPHPC-UHFFFAOYSA-N
XLogP-0.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,3-diazinan-2-amine?
The IUPAC name of 1,3-dimethyl-1,3-diazinan-2-amine (CID 123639492) is 1,3-dimethyl-1,3-diazinan-2-amine.
What is the SMILES notation for 1,3-dimethyl-1,3-diazinan-2-amine?
The canonical SMILES for 1,3-dimethyl-1,3-diazinan-2-amine is CN1CCCN(C)C1N.
What is the InChIKey of 1,3-dimethyl-1,3-diazinan-2-amine?
The InChIKey is CNSSBEYDUAPHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-8-4-3-5-9(2)6(8)7/h6H,3-5,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-1,3-diazinan-2-amine?
1,3-dimethyl-1,3-diazinan-2-amine has a molecular weight of 129.21 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3-diazinan-2-amine is sourced from PubChem (CID 123639492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).