2-N-[2-(dimethylamino)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,5-diamine

C18H26N4O — CID 155535945

IUPAC2-N-[2-(dimethylamino)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,5-diamine
SMILESCOc1ccc(CCN(CCN(C)C)c2ccc(N)cn2)cc1
InChIInChI=1S/C18H26N4O/c1-21(2)12-13-22(18-9-6-16(19)14-20-18)11-10-15-4-7-17(23-3)8-5-15/h4-9,14H,10-13,19H2,1-3H3
InChIKeyHZENDWMUEKETLV-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.28
Rot. Bonds8

About 2-N-[2-(dimethylamino)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,5-diamine

2-N-[2-(dimethylamino)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,5-diamine (PubChem CID 155535945) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,5-diamine
PubChem CID155535945
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-N-[2-(dimethylamino)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,5-diamine
SMILESCOc1ccc(CCN(CCN(C)C)c2ccc(N)cn2)cc1
InChIInChI=1S/C18H26N4O/c1-21(2)12-13-22(18-9-6-16(19)14-20-18)11-10-15-4-7-17(23-3)8-5-15/h4-9,14H,10-13,19H2,1-3H3
InChIKeyHZENDWMUEKETLV-UHFFFAOYSA-N
XLogP2.28
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,5-diamine (CID 155535945) is 2-N-[2-(dimethylamino)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,5-diamine is COc1ccc(CCN(CCN(C)C)c2ccc(N)cn2)cc1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,5-diamine?
The InChIKey is HZENDWMUEKETLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21(2)12-13-22(18-9-6-16(19)14-20-18)11-10-15-4-7-17(23-3)8-5-15/h4-9,14H,10-13,19H2,1-3H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,5-diamine?
2-N-[2-(dimethylamino)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,5-diamine has a molecular weight of 314.43 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 155535945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).