N,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline

C14H18N4 — CID 64853991

IUPACN,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline
SMILESCN(C)c1ccc(-n2cnc3c2CCNC3)cc1
InChIInChI=1S/C14H18N4/c1-17(2)11-3-5-12(6-4-11)18-10-16-13-9-15-8-7-14(13)18/h3-6,10,15H,7-9H2,1-2H3
InChIKeyMJZXJIDHANYRRX-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.58
Rot. Bonds2

About N,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline

N,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline (PubChem CID 64853991) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline
PubChem CID64853991
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline
SMILESCN(C)c1ccc(-n2cnc3c2CCNC3)cc1
InChIInChI=1S/C14H18N4/c1-17(2)11-3-5-12(6-4-11)18-10-16-13-9-15-8-7-14(13)18/h3-6,10,15H,7-9H2,1-2H3
InChIKeyMJZXJIDHANYRRX-UHFFFAOYSA-N
XLogP1.58
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline (CID 64853991) is N,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline is CN(C)c1ccc(-n2cnc3c2CCNC3)cc1.
What is the InChIKey of N,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline?
The InChIKey is MJZXJIDHANYRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-17(2)11-3-5-12(6-4-11)18-10-16-13-9-15-8-7-14(13)18/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline?
N,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline has a molecular weight of 242.33 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)aniline is sourced from PubChem (CID 64853991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).