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

C12H24N2O — CID 102647772

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C)C1=CCCCO1
InChIInChI=1S/C12H24N2O/c1-4-8-13-11(10-14(2)3)12-7-5-6-9-15-12/h7,11,13H,4-6,8-10H2,1-3H3
InChIKeyGVISLWUIOVHMNA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.61
Rot. Bonds6

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

1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine (PubChem CID 102647772) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
PubChem CID102647772
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C)C1=CCCCO1
InChIInChI=1S/C12H24N2O/c1-4-8-13-11(10-14(2)3)12-7-5-6-9-15-12/h7,11,13H,4-6,8-10H2,1-3H3
InChIKeyGVISLWUIOVHMNA-UHFFFAOYSA-N
XLogP1.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.61
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'-dimethyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine (CID 102647772) is 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine is CCCNC(CN(C)C)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The InChIKey is GVISLWUIOVHMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-8-13-11(10-14(2)3)12-7-5-6-9-15-12/h7,11,13H,4-6,8-10H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.61, 6 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'-dimethyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 102647772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).