1-(cyclohexylmethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C16H27N3 — CID 64857719

IUPAC1-(cyclohexylmethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)c1nc2c(n1CC1CCCCC1)CCNC2
InChIInChI=1S/C16H27N3/c1-12(2)16-18-14-10-17-9-8-15(14)19(16)11-13-6-4-3-5-7-13/h12-13,17H,3-11H2,1-2H3
InChIKeyJHMFSOLFAJPKHU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.23
Rot. Bonds3

About 1-(cyclohexylmethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(cyclohexylmethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857719) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857719
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(cyclohexylmethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)c1nc2c(n1CC1CCCCC1)CCNC2
InChIInChI=1S/C16H27N3/c1-12(2)16-18-14-10-17-9-8-15(14)19(16)11-13-6-4-3-5-7-13/h12-13,17H,3-11H2,1-2H3
InChIKeyJHMFSOLFAJPKHU-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(cyclohexylmethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857719) is 1-(cyclohexylmethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(cyclohexylmethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)c1nc2c(n1CC1CCCCC1)CCNC2.
What is the InChIKey of 1-(cyclohexylmethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is JHMFSOLFAJPKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12(2)16-18-14-10-17-9-8-15(14)19(16)11-13-6-4-3-5-7-13/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(cyclohexylmethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 261.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-propan-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).