2-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethyl]aniline

C15H20N4 — CID 117166819

IUPAC2-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
SMILESCn1c(CCc2ccccc2N)nc2c1CCNC2
InChIInChI=1S/C15H20N4/c1-19-14-8-9-17-10-13(14)18-15(19)7-6-11-4-2-3-5-12(11)16/h2-5,17H,6-10,16H2,1H3
InChIKeyYNZZVGHJOVVUMW-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.43
Rot. Bonds3

About 2-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethyl]aniline

2-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethyl]aniline (PubChem CID 117166819) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
PubChem CID117166819
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
SMILESCn1c(CCc2ccccc2N)nc2c1CCNC2
InChIInChI=1S/C15H20N4/c1-19-14-8-9-17-10-13(14)18-15(19)7-6-11-4-2-3-5-12(11)16/h2-5,17H,6-10,16H2,1H3
InChIKeyYNZZVGHJOVVUMW-UHFFFAOYSA-N
XLogP1.43
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethyl]aniline?
The IUPAC name of 2-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethyl]aniline (CID 117166819) is 2-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethyl]aniline is Cn1c(CCc2ccccc2N)nc2c1CCNC2.
What is the InChIKey of 2-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethyl]aniline?
The InChIKey is YNZZVGHJOVVUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-19-14-8-9-17-10-13(14)18-15(19)7-6-11-4-2-3-5-12(11)16/h2-5,17H,6-10,16H2,1H3.
What are the key properties of 2-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethyl]aniline?
2-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethyl]aniline has a molecular weight of 256.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)ethyl]aniline is sourced from PubChem (CID 117166819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).