2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C14H23N3 — CID 64857299

IUPAC2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nc2c(n1CC1CC1)CCNC2
InChIInChI=1S/C14H23N3/c1-14(2,3)13-16-11-8-15-7-6-12(11)17(13)9-10-4-5-10/h10,15H,4-9H2,1-3H3
InChIKeyMPUMJFRWGJDKHS-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.24
Rot. Bonds2

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

2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857299) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857299
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nc2c(n1CC1CC1)CCNC2
InChIInChI=1S/C14H23N3/c1-14(2,3)13-16-11-8-15-7-6-12(11)17(13)9-10-4-5-10/h10,15H,4-9H2,1-3H3
InChIKeyMPUMJFRWGJDKHS-UHFFFAOYSA-N
XLogP2.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857299) is 2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)(C)c1nc2c(n1CC1CC1)CCNC2.
What is the InChIKey of 2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is MPUMJFRWGJDKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2,3)13-16-11-8-15-7-6-12(11)17(13)9-10-4-5-10/h10,15H,4-9H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-tert-butyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 233.36 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-(cyclopropylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).