3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane

C10H17N3 — CID 170962571

IUPAC3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane
SMILESCC.NCC1=CC2C=NC=CC2N1
InChIInChI=1S/C8H11N3.C2H6/c9-4-7-3-6-5-10-2-1-8(6)11-7;1-2/h1-3,5-6,8,11H,4,9H2;1-2H3
InChIKeyVTSATWNMAGHWKX-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.04
Rot. Bonds1

About 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane

3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane (PubChem CID 170962571) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane.

Molecular Properties

Compound Name3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane
PubChem CID170962571
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane
SMILESCC.NCC1=CC2C=NC=CC2N1
InChIInChI=1S/C8H11N3.C2H6/c9-4-7-3-6-5-10-2-1-8(6)11-7;1-2/h1-3,5-6,8,11H,4,9H2;1-2H3
InChIKeyVTSATWNMAGHWKX-UHFFFAOYSA-N
XLogP1.04
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489342
5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489346
2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 23545925
N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine
CID 89002162
3-methyl-N-propyl-3,4-dihydropyridin-4-amine
CID 89313762
(3R)-N-ethyl-3-methyl-3,4-dihydropyridin-4-amine
CID 89313765
3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carbonitrile
CID 89386882
5-(2,5-dihydro-1H-pyrrol-2-yl)-1,2-dihydropyrazine
CID 90733052
2-ethyl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine
CID 117611855
2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489343
2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine
CID 118489344
2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine
CID 118489345

Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane?
The IUPAC name of 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane (CID 170962571) is 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane.
What is the SMILES notation for 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane?
The canonical SMILES for 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane is CC.NCC1=CC2C=NC=CC2N1.
What is the InChIKey of 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane?
The InChIKey is VTSATWNMAGHWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c9-4-7-3-6-5-10-2-1-8(6)11-7;1-2/h1-3,5-6,8,11H,4,9H2;1-2H3.
What are the key properties of 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane?
3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane has a molecular weight of 179.27 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane is sourced from PubChem (CID 170962571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).