4-N-methyl-3,6-dihydro-2H-pyran-4,5-diamine

C6H12N2O — CID 126514767

IUPAC4-N-methyl-3,6-dihydro-2H-pyran-4,5-diamine
SMILESCNC1=C(N)COCC1
InChIInChI=1S/C6H12N2O/c1-8-6-2-3-9-4-5(6)7/h8H,2-4,7H2,1H3
InChIKeyNNFROKJLZFOUBN-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.20
Rot. Bonds1

About 4-N-methyl-3,6-dihydro-2H-pyran-4,5-diamine

4-N-methyl-3,6-dihydro-2H-pyran-4,5-diamine (PubChem CID 126514767) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-N-methyl-3,6-dihydro-2H-pyran-4,5-diamine.

Molecular Properties

Compound Name4-N-methyl-3,6-dihydro-2H-pyran-4,5-diamine
PubChem CID126514767
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name4-N-methyl-3,6-dihydro-2H-pyran-4,5-diamine
SMILESCNC1=C(N)COCC1
InChIInChI=1S/C6H12N2O/c1-8-6-2-3-9-4-5(6)7/h8H,2-4,7H2,1H3
InChIKeyNNFROKJLZFOUBN-UHFFFAOYSA-N
XLogP-0.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-3,6-dihydro-2H-pyran-4,5-diamine?
The IUPAC name of 4-N-methyl-3,6-dihydro-2H-pyran-4,5-diamine (CID 126514767) is 4-N-methyl-3,6-dihydro-2H-pyran-4,5-diamine.
What is the SMILES notation for 4-N-methyl-3,6-dihydro-2H-pyran-4,5-diamine?
The canonical SMILES for 4-N-methyl-3,6-dihydro-2H-pyran-4,5-diamine is CNC1=C(N)COCC1.
What is the InChIKey of 4-N-methyl-3,6-dihydro-2H-pyran-4,5-diamine?
The InChIKey is NNFROKJLZFOUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8-6-2-3-9-4-5(6)7/h8H,2-4,7H2,1H3.
What are the key properties of 4-N-methyl-3,6-dihydro-2H-pyran-4,5-diamine?
4-N-methyl-3,6-dihydro-2H-pyran-4,5-diamine has a molecular weight of 128.17 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-3,6-dihydro-2H-pyran-4,5-diamine is sourced from PubChem (CID 126514767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).