2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine

C14H25N3O — CID 63992949

IUPAC2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine
SMILESCCN(Cc1cccc(OC)n1)C(C)(CC)CN
InChIInChI=1S/C14H25N3O/c1-5-14(3,11-15)17(6-2)10-12-8-7-9-13(16-12)18-4/h7-9H,5-6,10-11,15H2,1-4H3
InChIKeyDPXAGPQQTIOYFZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.04
Rot. Bonds7

About 2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine

2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine (PubChem CID 63992949) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine
PubChem CID63992949
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine
SMILESCCN(Cc1cccc(OC)n1)C(C)(CC)CN
InChIInChI=1S/C14H25N3O/c1-5-14(3,11-15)17(6-2)10-12-8-7-9-13(16-12)18-4/h7-9H,5-6,10-11,15H2,1-4H3
InChIKeyDPXAGPQQTIOYFZ-UHFFFAOYSA-N
XLogP2.04
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine (CID 63992949) is 2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine is CCN(Cc1cccc(OC)n1)C(C)(CC)CN.
What is the InChIKey of 2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine?
The InChIKey is DPXAGPQQTIOYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-14(3,11-15)17(6-2)10-12-8-7-9-13(16-12)18-4/h7-9H,5-6,10-11,15H2,1-4H3.
What are the key properties of 2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine?
2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine has a molecular weight of 251.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylbutane-1,2-diamine is sourced from PubChem (CID 63992949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).