2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine

C15H27N3O2 — CID 103172092

IUPAC2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine
SMILESCCN(Cc1nccc(OC)c1OC)C(C)(CC)CN
InChIInChI=1S/C15H27N3O2/c1-6-15(3,11-16)18(7-2)10-12-14(20-5)13(19-4)8-9-17-12/h8-9H,6-7,10-11,16H2,1-5H3
InChIKeyDFFDJPMXOXSFPB-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.05
Rot. Bonds8

About 2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine

2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine (PubChem CID 103172092) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine
PubChem CID103172092
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine
SMILESCCN(Cc1nccc(OC)c1OC)C(C)(CC)CN
InChIInChI=1S/C15H27N3O2/c1-6-15(3,11-16)18(7-2)10-12-14(20-5)13(19-4)8-9-17-12/h8-9H,6-7,10-11,16H2,1-5H3
InChIKeyDFFDJPMXOXSFPB-UHFFFAOYSA-N
XLogP2.05
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-dimethoxy-2-pyridinyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 103173833
N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine
CID 103172082
2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 55139466
2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 104791386
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine
CID 103172116
3-[(3,4-dimethoxy-2-pyridinyl)methyl-ethylamino]propanoic acid
CID 103173485
N-(2-chloroethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]butan-1-amine
CID 103173931
2-(aminomethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N-methylcyclopentan-1-amine
CID 103173606
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
3-[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 103173134
N'-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 103173261
1-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-N-methylbutane-1,3-diamine
CID 103174073

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine (CID 103172092) is 2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine is CCN(Cc1nccc(OC)c1OC)C(C)(CC)CN.
What is the InChIKey of 2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine?
The InChIKey is DFFDJPMXOXSFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-15(3,11-16)18(7-2)10-12-14(20-5)13(19-4)8-9-17-12/h8-9H,6-7,10-11,16H2,1-5H3.
What are the key properties of 2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine?
2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine has a molecular weight of 281.40 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine is sourced from PubChem (CID 103172092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).