6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

C14H22N4 — CID 144718976

IUPAC6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCCC1=CC2N=CC(N3CCCNCC3)=CC2N1
InChIInChI=1S/C14H22N4/c1-2-11-8-13-14(17-11)9-12(10-16-13)18-6-3-4-15-5-7-18/h8-10,13-15,17H,2-7H2,1H3
InChIKeyFELSGNKCHQORGT-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.88
Rot. Bonds2

About 6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 144718976) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID144718976
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCCC1=CC2N=CC(N3CCCNCC3)=CC2N1
InChIInChI=1S/C14H22N4/c1-2-11-8-13-14(17-11)9-12(10-16-13)18-6-3-4-15-5-7-18/h8-10,13-15,17H,2-7H2,1H3
InChIKeyFELSGNKCHQORGT-UHFFFAOYSA-N
XLogP0.88
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

2-ethyl-6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 117611844
6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491774
2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 23545925
1-(2,3-Dihydropyridin-5-yl)-1,4-diazepane
CID 139935688
acetylene;6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 144718975
2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 155148574
4-(4-Methyl-1,4-diazepan-1-yl)-2,3-dihydropyridin-3-amine
CID 163959584
(Z)-N-[(Z)-but-2-en-2-yl]-2-(1,4-diazepan-1-ylmethyl)pent-2-en-1-imine
CID 173752471

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 144718976) is 6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is CCC1=CC2N=CC(N3CCCNCC3)=CC2N1.
What is the InChIKey of 6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is FELSGNKCHQORGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-11-8-13-14(17-11)9-12(10-16-13)18-6-3-4-15-5-7-18/h8-10,13-15,17H,2-7H2,1H3.
What are the key properties of 6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 246.36 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-diazepan-1-yl)-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 144718976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).