2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C13H23N3 — CID 64858284

IUPAC2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCn1c(C(C)(C)C)nc2c1CCNC2
InChIInChI=1S/C13H23N3/c1-5-8-16-11-6-7-14-9-10(11)15-12(16)13(2,3)4/h14H,5-9H2,1-4H3
InChIKeyAQVRINUIOVXRIB-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.24
Rot. Bonds2

About 2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64858284) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64858284
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCn1c(C(C)(C)C)nc2c1CCNC2
InChIInChI=1S/C13H23N3/c1-5-8-16-11-6-7-14-9-10(11)15-12(16)13(2,3)4/h14H,5-9H2,1-4H3
InChIKeyAQVRINUIOVXRIB-UHFFFAOYSA-N
XLogP2.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856921
2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857299
N-[2-(2-tert-butyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)ethyl]methanesulfonamide
CID 64857141
2-tert-butyl-1-[(1-methylpiperidin-4-yl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856415
2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859127
2-tert-butyl-1-(3-methylpentan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859335
2-tert-butyl-1-octan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858543
2-tert-butyl-1-(1-cyclopropylbutan-2-yl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857941
1-(2-methoxy-2-methylpropyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 104766222
1-(2-phenylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859077
1-butyl-2-cyclopropyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64858865
2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857874

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64858284) is 2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCn1c(C(C)(C)C)nc2c1CCNC2.
What is the InChIKey of 2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is AQVRINUIOVXRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-8-16-11-6-7-14-9-10(11)15-12(16)13(2,3)4/h14H,5-9H2,1-4H3.
What are the key properties of 2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 221.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-propyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64858284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).