1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine

C10H17N3O — CID 83831005

IUPAC1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine
SMILESCOc1cccnc1N(C)CC(C)N
InChIInChI=1S/C10H17N3O/c1-8(11)7-13(2)10-9(14-3)5-4-6-12-10/h4-6,8H,7,11H2,1-3H3
InChIKeyPLACFSGLPDLHRV-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.87
Rot. Bonds4

About 1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine

1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine (PubChem CID 83831005) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine
PubChem CID83831005
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine
SMILESCOc1cccnc1N(C)CC(C)N
InChIInChI=1S/C10H17N3O/c1-8(11)7-13(2)10-9(14-3)5-4-6-12-10/h4-6,8H,7,11H2,1-3H3
InChIKeyPLACFSGLPDLHRV-UHFFFAOYSA-N
XLogP0.87
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine (CID 83831005) is 1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine is COc1cccnc1N(C)CC(C)N.
What is the InChIKey of 1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is PLACFSGLPDLHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(11)7-13(2)10-9(14-3)5-4-6-12-10/h4-6,8H,7,11H2,1-3H3.
What are the key properties of 1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine?
1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 195.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 83831005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).