6-[(4-tert-butylazepan-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C17H30N4 — CID 79353037

IUPAC6-[(4-tert-butylazepan-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)C1CCCN(CC2Cc3nc[nH]c3CN2)CC1
InChIInChI=1S/C17H30N4/c1-17(2,3)13-5-4-7-21(8-6-13)11-14-9-15-16(10-18-14)20-12-19-15/h12-14,18H,4-11H2,1-3H3,(H,19,20)
InChIKeyVIRATRUIMOZQFJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.57
Rot. Bonds2

About 6-[(4-tert-butylazepan-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

6-[(4-tert-butylazepan-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 79353037) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 6-[(4-tert-butylazepan-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-[(4-tert-butylazepan-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID79353037
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name6-[(4-tert-butylazepan-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)C1CCCN(CC2Cc3nc[nH]c3CN2)CC1
InChIInChI=1S/C17H30N4/c1-17(2,3)13-5-4-7-21(8-6-13)11-14-9-15-16(10-18-14)20-12-19-15/h12-14,18H,4-11H2,1-3H3,(H,19,20)
InChIKeyVIRATRUIMOZQFJ-UHFFFAOYSA-N
XLogP2.57
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butylazepan-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-[(4-tert-butylazepan-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 79353037) is 6-[(4-tert-butylazepan-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-[(4-tert-butylazepan-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-[(4-tert-butylazepan-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is CC(C)(C)C1CCCN(CC2Cc3nc[nH]c3CN2)CC1.
What is the InChIKey of 6-[(4-tert-butylazepan-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is VIRATRUIMOZQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-17(2,3)13-5-4-7-21(8-6-13)11-14-9-15-16(10-18-14)20-12-19-15/h12-14,18H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 6-[(4-tert-butylazepan-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
6-[(4-tert-butylazepan-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 290.45 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-tert-butylazepan-1-yl)methyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 79353037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).