N-ethyl-4-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline

C16H22N4 — CID 79359942

IUPACN-ethyl-4-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline
SMILESCCN(CC1Cc2nc[nH]c2CN1)c1ccc(C)cc1
InChIInChI=1S/C16H22N4/c1-3-20(14-6-4-12(2)5-7-14)10-13-8-15-16(9-17-13)19-11-18-15/h4-7,11,13,17H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyIGKLVDXRAOBDRS-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.26
Rot. Bonds4

About N-ethyl-4-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline

N-ethyl-4-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline (PubChem CID 79359942) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline
PubChem CID79359942
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-ethyl-4-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline
SMILESCCN(CC1Cc2nc[nH]c2CN1)c1ccc(C)cc1
InChIInChI=1S/C16H22N4/c1-3-20(14-6-4-12(2)5-7-14)10-13-8-15-16(9-17-13)19-11-18-15/h4-7,11,13,17H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyIGKLVDXRAOBDRS-UHFFFAOYSA-N
XLogP2.26
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline?
The IUPAC name of N-ethyl-4-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline (CID 79359942) is N-ethyl-4-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline.
What is the SMILES notation for N-ethyl-4-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline?
The canonical SMILES for N-ethyl-4-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline is CCN(CC1Cc2nc[nH]c2CN1)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-4-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline?
The InChIKey is IGKLVDXRAOBDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-20(14-6-4-12(2)5-7-14)10-13-8-15-16(9-17-13)19-11-18-15/h4-7,11,13,17H,3,8-10H2,1-2H3,(H,18,19).
What are the key properties of N-ethyl-4-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline?
N-ethyl-4-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline has a molecular weight of 270.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline is sourced from PubChem (CID 79359942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).