1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethylethane-1,2-diamine

C9H18N2O — CID 102647769

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CC(N)C1=CCCCO1
InChIInChI=1S/C9H18N2O/c1-11(2)7-8(10)9-5-3-4-6-12-9/h5,8H,3-4,6-7,10H2,1-2H3
InChIKeyJYPXFXDMLRNBDM-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.57
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethylethane-1,2-diamine

1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 102647769) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID102647769
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CC(N)C1=CCCCO1
InChIInChI=1S/C9H18N2O/c1-11(2)7-8(10)9-5-3-4-6-12-9/h5,8H,3-4,6-7,10H2,1-2H3
InChIKeyJYPXFXDMLRNBDM-UHFFFAOYSA-N
XLogP0.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethylethane-1,2-diamine (CID 102647769) is 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CC(N)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is JYPXFXDMLRNBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(2)7-8(10)9-5-3-4-6-12-9/h5,8H,3-4,6-7,10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethylethane-1,2-diamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 170.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 102647769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).