1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine

C14H19N3 — CID 66413706

IUPAC1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine
SMILESCC1(NCc2c[nH]c3ncccc23)CCCC1
InChIInChI=1S/C14H19N3/c1-14(6-2-3-7-14)17-10-11-9-16-13-12(11)5-4-8-15-13/h4-5,8-9,17H,2-3,6-7,10H2,1H3,(H,15,16)
InChIKeyYRDKCYHACBCJFF-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.99
Rot. Bonds3

About 1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine

1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine (PubChem CID 66413706) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine
PubChem CID66413706
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine
SMILESCC1(NCc2c[nH]c3ncccc23)CCCC1
InChIInChI=1S/C14H19N3/c1-14(6-2-3-7-14)17-10-11-9-16-13-12(11)5-4-8-15-13/h4-5,8-9,17H,2-3,6-7,10H2,1H3,(H,15,16)
InChIKeyYRDKCYHACBCJFF-UHFFFAOYSA-N
XLogP2.99
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine (CID 66413706) is 1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine is CC1(NCc2c[nH]c3ncccc23)CCCC1.
What is the InChIKey of 1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine?
The InChIKey is YRDKCYHACBCJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(6-2-3-7-14)17-10-11-9-16-13-12(11)5-4-8-15-13/h4-5,8-9,17H,2-3,6-7,10H2,1H3,(H,15,16).
What are the key properties of 1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine?
1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 66413706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).