6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine

C6H12N2O — CID 91337480

IUPAC6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine
SMILESNCC1=CCC(N)CO1
InChIInChI=1S/C6H12N2O/c7-3-6-2-1-5(8)4-9-6/h2,5H,1,3-4,7-8H2
InChIKeySKTKEWZCWBGXRX-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.42
Rot. Bonds1

About 6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine

6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine (PubChem CID 91337480) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound Name6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine
PubChem CID91337480
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine
SMILESNCC1=CCC(N)CO1
InChIInChI=1S/C6H12N2O/c7-3-6-2-1-5(8)4-9-6/h2,5H,1,3-4,7-8H2
InChIKeySKTKEWZCWBGXRX-UHFFFAOYSA-N
XLogP-0.42
TPSA61.27 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 ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine?
The IUPAC name of 6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine (CID 91337480) is 6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine.
What is the SMILES notation for 6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine?
The canonical SMILES for 6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine is NCC1=CCC(N)CO1.
What is the InChIKey of 6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine?
The InChIKey is SKTKEWZCWBGXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c7-3-6-2-1-5(8)4-9-6/h2,5H,1,3-4,7-8H2.
What are the key properties of 6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine?
6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine has a molecular weight of 128.17 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 91337480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).