6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine

C8H16N2O — CID 123788725

IUPAC6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine
SMILESCC(N)C1=CCC(N)C(C)O1
InChIInChI=1S/C8H16N2O/c1-5(9)8-4-3-7(10)6(2)11-8/h4-7H,3,9-10H2,1-2H3
InChIKeyZHPMNAXCIWTDTJ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.35
Rot. Bonds1

About 6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine

6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine (PubChem CID 123788725) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound Name6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine
PubChem CID123788725
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine
SMILESCC(N)C1=CCC(N)C(C)O1
InChIInChI=1S/C8H16N2O/c1-5(9)8-4-3-7(10)6(2)11-8/h4-7H,3,9-10H2,1-2H3
InChIKeyZHPMNAXCIWTDTJ-UHFFFAOYSA-N
XLogP0.35
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3H-phentolamine
CID 20028870
ethane;3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 143080456
(Z)-4-ethoxy-1,1,1-trifluorohept-4-en-3-amine
CID 143076621
3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 143080457
(3R)-6-(aminomethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine
CID 60076819
(2R,3R)-2-methyl-6-(methylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 60076848
2-[[(2R,3R)-3-amino-2-methyl-3,4-dihydro-2H-pyran-6-yl]methyl]guanidine
CID 60076933
(3R)-6-(ethylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 68111938
(4R,5Z)-5-methoxynona-1,5-dien-4-amine
CID 88260651
(1R)-1-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine
CID 89017377
(1R)-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017389
(1R)-2-methyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017392

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine?
The IUPAC name of 6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine (CID 123788725) is 6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine.
What is the SMILES notation for 6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine?
The canonical SMILES for 6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine is CC(N)C1=CCC(N)C(C)O1.
What is the InChIKey of 6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine?
The InChIKey is ZHPMNAXCIWTDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5(9)8-4-3-7(10)6(2)11-8/h4-7H,3,9-10H2,1-2H3.
What are the key properties of 6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine?
6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine has a molecular weight of 156.23 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 123788725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).