(4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

C14H24N2 — CID 125062341

IUPAC(4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCCCN1[C@H](CC)Cc2[nH]ccc2[C@H]1CC
InChIInChI=1S/C14H24N2/c1-4-9-16-11(5-2)10-13-12(7-8-15-13)14(16)6-3/h7-8,11,14-15H,4-6,9-10H2,1-3H3/t11-,14-/m1/s1
InChIKeyBKHAZJVHQBVHGS-BXUZGUMPSA-N
MW220.36 g/mol
LogP3.51
Rot. Bonds4

About (4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine

(4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 125062341) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name(4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID125062341
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCCCN1[C@H](CC)Cc2[nH]ccc2[C@H]1CC
InChIInChI=1S/C14H24N2/c1-4-9-16-11(5-2)10-13-12(7-8-15-13)14(16)6-3/h7-8,11,14-15H,4-6,9-10H2,1-3H3/t11-,14-/m1/s1
InChIKeyBKHAZJVHQBVHGS-BXUZGUMPSA-N
XLogP3.51
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of (4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 125062341) is (4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for (4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for (4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is CCCN1[C@H](CC)Cc2[nH]ccc2[C@H]1CC.
What is the InChIKey of (4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is BKHAZJVHQBVHGS-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-9-16-11(5-2)10-13-12(7-8-15-13)14(16)6-3/h7-8,11,14-15H,4-6,9-10H2,1-3H3/t11-,14-/m1/s1.
What are the key properties of (4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine?
(4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 220.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4,6-diethyl-5-propyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 125062341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).