6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine

C7H14N2O — CID 91342909

IUPAC6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine
SMILESCNCC1C=CC(N)CO1
InChIInChI=1S/C7H14N2O/c1-9-4-7-3-2-6(8)5-10-7/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyWTHKSJUEVQRTRC-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.51
Rot. Bonds2

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

6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine (PubChem CID 91342909) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound Name6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine
PubChem CID91342909
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine
SMILESCNCC1C=CC(N)CO1
InChIInChI=1S/C7H14N2O/c1-9-4-7-3-2-6(8)5-10-7/h2-3,6-7,9H,4-5,8H2,1H3
InChIKeyWTHKSJUEVQRTRC-UHFFFAOYSA-N
XLogP-0.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-prop-1-enyl]morpholin-4-ium
CID 166440654
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CID 145312229
3-Propan-2-yloxy-1,2,3,6-tetrahydropyridine
CID 57751839
(E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine
CID 58730214
N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine
CID 59398020
3-Methoxy-1,2,3,6-tetrahydropyridine
CID 68102964
2-Prop-1-enylmorpholine
CID 68592425
6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine
CID 89209439
1-(2,5-dihydrofuran-2-yl)-N-methylmethanamine
CID 89285095
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
2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol
CID 91058078

Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine?
The IUPAC name of 6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine (CID 91342909) is 6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine.
What is the SMILES notation for 6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine?
The canonical SMILES for 6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine is CNCC1C=CC(N)CO1.
What is the InChIKey of 6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine?
The InChIKey is WTHKSJUEVQRTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9-4-7-3-2-6(8)5-10-7/h2-3,6-7,9H,4-5,8H2,1H3.
What are the key properties of 6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine?
6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine has a molecular weight of 142.20 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)-3,6-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 91342909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).