N-[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]-2-(methylamino)acetamide

C9H17N3O2 — CID 91221416

IUPACN-[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)NC1CC=C(CN)OC1
InChIInChI=1S/C9H17N3O2/c1-11-5-9(13)12-7-2-3-8(4-10)14-6-7/h3,7,11H,2,4-6,10H2,1H3,(H,12,13)
InChIKeyOMUHBLNWEFVHRE-UHFFFAOYSA-N
MW199.25 g/mol
LogP-1.05
Rot. Bonds4

About N-[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]-2-(methylamino)acetamide

N-[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]-2-(methylamino)acetamide (PubChem CID 91221416) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]-2-(methylamino)acetamide
PubChem CID91221416
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)NC1CC=C(CN)OC1
InChIInChI=1S/C9H17N3O2/c1-11-5-9(13)12-7-2-3-8(4-10)14-6-7/h3,7,11H,2,4-6,10H2,1H3,(H,12,13)
InChIKeyOMUHBLNWEFVHRE-UHFFFAOYSA-N
XLogP-1.05
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]-2-(methylamino)acetamide (CID 91221416) is N-[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]-2-(methylamino)acetamide is CNCC(=O)NC1CC=C(CN)OC1.
What is the InChIKey of N-[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]-2-(methylamino)acetamide?
The InChIKey is OMUHBLNWEFVHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-11-5-9(13)12-7-2-3-8(4-10)14-6-7/h3,7,11H,2,4-6,10H2,1H3,(H,12,13).
What are the key properties of N-[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]-2-(methylamino)acetamide?
N-[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]-2-(methylamino)acetamide has a molecular weight of 199.25 g/mol, XLogP of -1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 91221416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).