2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol

C8H16N2O2 — CID 91058078

IUPAC2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol
SMILESNC1C=CC(CNCCO)OC1
InChIInChI=1S/C8H16N2O2/c9-7-1-2-8(12-6-7)5-10-3-4-11/h1-2,7-8,10-11H,3-6,9H2
InChIKeyGFVXETXGEKQGHE-UHFFFAOYSA-N
MW172.23 g/mol
LogP-1.15
Rot. Bonds4

About 2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol

2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol (PubChem CID 91058078) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol
PubChem CID91058078
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol
SMILESNC1C=CC(CNCCO)OC1
InChIInChI=1S/C8H16N2O2/c9-7-1-2-8(12-6-7)5-10-3-4-11/h1-2,7-8,10-11H,3-6,9H2
InChIKeyGFVXETXGEKQGHE-UHFFFAOYSA-N
XLogP-1.15
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-Ethoxycyclohexa-2,4-dien-1-yl)amino]ethanol
CID 67593506
[3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol
CID 67628611
N-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methyl]-N'-ethyl-N'-methylpropane-1,3-diamine
CID 90861531
N'-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methyl]propane-1,3-diamine
CID 90894278
N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine
CID 91094343
N'-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methyl]-N-methylpropane-1,3-diamine
CID 91198611
6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine
CID 91342909
3-amino-6-[(2-hydroxyethylamino)methyl]-3,6-dihydro-2H-pyran-2-ol
CID 91417768
(3-Butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol
CID 118146686
N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine
CID 143974244
3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propane-1,2-diol
CID 143974263
(2S,3R,6S)-3-amino-6-[(2-hydroxyethylamino)methyl]-3,6-dihydro-2H-pyran-2-ol
CID 143974316

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol?
The IUPAC name of 2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol (CID 91058078) is 2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol?
The canonical SMILES for 2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol is NC1C=CC(CNCCO)OC1.
What is the InChIKey of 2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol?
The InChIKey is GFVXETXGEKQGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-7-1-2-8(12-6-7)5-10-3-4-11/h1-2,7-8,10-11H,3-6,9H2.
What are the key properties of 2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol?
2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol has a molecular weight of 172.23 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol is sourced from PubChem (CID 91058078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).