1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine

C12H21N3O — CID 106504055

IUPAC1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCOc1ccc(NCC(C)(C)N(C)C)nc1
InChIInChI=1S/C12H21N3O/c1-12(2,15(3)4)9-14-11-7-6-10(16-5)8-13-11/h6-8H,9H2,1-5H3,(H,13,14)
InChIKeySMGNBZRHMNTBMQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.84
Rot. Bonds5

About 1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 106504055) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID106504055
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCOc1ccc(NCC(C)(C)N(C)C)nc1
InChIInChI=1S/C12H21N3O/c1-12(2,15(3)4)9-14-11-7-6-10(16-5)8-13-11/h6-8H,9H2,1-5H3,(H,13,14)
InChIKeySMGNBZRHMNTBMQ-UHFFFAOYSA-N
XLogP1.84
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 106504055) is 1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is COc1ccc(NCC(C)(C)N(C)C)nc1.
What is the InChIKey of 1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is SMGNBZRHMNTBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,15(3)4)9-14-11-7-6-10(16-5)8-13-11/h6-8H,9H2,1-5H3,(H,13,14).
What are the key properties of 1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 106504055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).