1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propylpyrrolo[2,3-b]pyridin-4-amine

C18H30N4 — CID 29111760

IUPAC1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propylpyrrolo[2,3-b]pyridin-4-amine
SMILESCCCc1nc2c(c(C)c(C)n2CCN(C)C)c(N)c1CC
InChIInChI=1S/C18H30N4/c1-7-9-15-14(8-2)17(19)16-12(3)13(4)22(18(16)20-15)11-10-21(5)6/h7-11H2,1-6H3,(H2,19,20)
InChIKeyFSNACYGQWAQVSR-UHFFFAOYSA-N
MW302.47 g/mol
LogP3.31
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propylpyrrolo[2,3-b]pyridin-4-amine

1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propylpyrrolo[2,3-b]pyridin-4-amine (PubChem CID 29111760) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propylpyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propylpyrrolo[2,3-b]pyridin-4-amine
PubChem CID29111760
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propylpyrrolo[2,3-b]pyridin-4-amine
SMILESCCCc1nc2c(c(C)c(C)n2CCN(C)C)c(N)c1CC
InChIInChI=1S/C18H30N4/c1-7-9-15-14(8-2)17(19)16-12(3)13(4)22(18(16)20-15)11-10-21(5)6/h7-11H2,1-6H3,(H2,19,20)
InChIKeyFSNACYGQWAQVSR-UHFFFAOYSA-N
XLogP3.31
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propylpyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propylpyrrolo[2,3-b]pyridin-4-amine (CID 29111760) is 1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propylpyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propylpyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propylpyrrolo[2,3-b]pyridin-4-amine is CCCc1nc2c(c(C)c(C)n2CCN(C)C)c(N)c1CC.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propylpyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is FSNACYGQWAQVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-7-9-15-14(8-2)17(19)16-12(3)13(4)22(18(16)20-15)11-10-21(5)6/h7-11H2,1-6H3,(H2,19,20).
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propylpyrrolo[2,3-b]pyridin-4-amine?
1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propylpyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 302.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5-ethyl-2,3-dimethyl-6-propylpyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 29111760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).