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

C15H20N4 — CID 79360454

IUPACN,4-dimethyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline
SMILESCc1ccc(N(C)CC2Cc3nc[nH]c3CN2)cc1
InChIInChI=1S/C15H20N4/c1-11-3-5-13(6-4-11)19(2)9-12-7-14-15(8-16-12)18-10-17-14/h3-6,10,12,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyPFGKPEGYKPGQHN-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.87
Rot. Bonds3

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

N,4-dimethyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline (PubChem CID 79360454) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N,4-dimethyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline.

Molecular Properties

Compound NameN,4-dimethyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline
PubChem CID79360454
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN,4-dimethyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline
SMILESCc1ccc(N(C)CC2Cc3nc[nH]c3CN2)cc1
InChIInChI=1S/C15H20N4/c1-11-3-5-13(6-4-11)19(2)9-12-7-14-15(8-16-12)18-10-17-14/h3-6,10,12,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyPFGKPEGYKPGQHN-UHFFFAOYSA-N
XLogP1.87
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.87
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,4-dimethyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline?
The IUPAC name of N,4-dimethyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline (CID 79360454) is N,4-dimethyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline.
What is the SMILES notation for N,4-dimethyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline?
The canonical SMILES for N,4-dimethyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline is Cc1ccc(N(C)CC2Cc3nc[nH]c3CN2)cc1.
What is the InChIKey of N,4-dimethyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline?
The InChIKey is PFGKPEGYKPGQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-3-5-13(6-4-11)19(2)9-12-7-14-15(8-16-12)18-10-17-14/h3-6,10,12,16H,7-9H2,1-2H3,(H,17,18).
What are the key properties of N,4-dimethyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline?
N,4-dimethyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline has a molecular weight of 256.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline is sourced from PubChem (CID 79360454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).