1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine

C14H20N2O — CID 62064908

IUPAC1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NCC1CCC=CO1
InChIInChI=1S/C14H20N2O/c1-16(2)14-9-4-3-8-13(14)15-11-12-7-5-6-10-17-12/h3-4,6,8-10,12,15H,5,7,11H2,1-2H3
InChIKeyAYPQGPUXDRGIKQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.86
Rot. Bonds4

About 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine

1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 62064908) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID62064908
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NCC1CCC=CO1
InChIInChI=1S/C14H20N2O/c1-16(2)14-9-4-3-8-13(14)15-11-12-7-5-6-10-17-12/h3-4,6,8-10,12,15H,5,7,11H2,1-2H3
InChIKeyAYPQGPUXDRGIKQ-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 62064908) is 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1ccccc1NCC1CCC=CO1.
What is the InChIKey of 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is AYPQGPUXDRGIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(2)14-9-4-3-8-13(14)15-11-12-7-5-6-10-17-12/h3-4,6,8-10,12,15H,5,7,11H2,1-2H3.
What are the key properties of 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 62064908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).