N,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine

C13H17N3 — CID 162388724

IUPACN,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine
SMILESCN(C)C1CC(n2ccc3cnccc32)C1
InChIInChI=1S/C13H17N3/c1-15(2)11-7-12(8-11)16-6-4-10-9-14-5-3-13(10)16/h3-6,9,11-12H,7-8H2,1-2H3
InChIKeyWHTVEGNVIMHGOO-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.30
Rot. Bonds2

About N,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine

N,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine (PubChem CID 162388724) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine
PubChem CID162388724
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine
SMILESCN(C)C1CC(n2ccc3cnccc32)C1
InChIInChI=1S/C13H17N3/c1-15(2)11-7-12(8-11)16-6-4-10-9-14-5-3-13(10)16/h3-6,9,11-12H,7-8H2,1-2H3
InChIKeyWHTVEGNVIMHGOO-UHFFFAOYSA-N
XLogP2.30
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine (CID 162388724) is N,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine is CN(C)C1CC(n2ccc3cnccc32)C1.
What is the InChIKey of N,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine?
The InChIKey is WHTVEGNVIMHGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-15(2)11-7-12(8-11)16-6-4-10-9-14-5-3-13(10)16/h3-6,9,11-12H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine?
N,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-pyrrolo[3,2-c]pyridin-1-ylcyclobutan-1-amine is sourced from PubChem (CID 162388724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).