5,6-di(propan-2-yl)-4,6,7,8-tetrahydro-2H-pyrrolo[3,2-c]azepine

C14H24N2 — CID 175612384

IUPAC5,6-di(propan-2-yl)-4,6,7,8-tetrahydro-2H-pyrrolo[3,2-c]azepine
SMILESCC(C)C1CCC2=NCC=C2CN1C(C)C
InChIInChI=1S/C14H24N2/c1-10(2)14-6-5-13-12(7-8-15-13)9-16(14)11(3)4/h7,10-11,14H,5-6,8-9H2,1-4H3
InChIKeySJMKZAPEMNQRMI-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.90
Rot. Bonds2

About 5,6-di(propan-2-yl)-4,6,7,8-tetrahydro-2H-pyrrolo[3,2-c]azepine

5,6-di(propan-2-yl)-4,6,7,8-tetrahydro-2H-pyrrolo[3,2-c]azepine (PubChem CID 175612384) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 5,6-di(propan-2-yl)-4,6,7,8-tetrahydro-2H-pyrrolo[3,2-c]azepine.

Molecular Properties

Compound Name5,6-di(propan-2-yl)-4,6,7,8-tetrahydro-2H-pyrrolo[3,2-c]azepine
PubChem CID175612384
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name5,6-di(propan-2-yl)-4,6,7,8-tetrahydro-2H-pyrrolo[3,2-c]azepine
SMILESCC(C)C1CCC2=NCC=C2CN1C(C)C
InChIInChI=1S/C14H24N2/c1-10(2)14-6-5-13-12(7-8-15-13)9-16(14)11(3)4/h7,10-11,14H,5-6,8-9H2,1-4H3
InChIKeySJMKZAPEMNQRMI-UHFFFAOYSA-N
XLogP2.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-yl)-4,6,7,8-tetrahydro-2H-pyrrolo[3,2-c]azepine?
The IUPAC name of 5,6-di(propan-2-yl)-4,6,7,8-tetrahydro-2H-pyrrolo[3,2-c]azepine (CID 175612384) is 5,6-di(propan-2-yl)-4,6,7,8-tetrahydro-2H-pyrrolo[3,2-c]azepine.
What is the SMILES notation for 5,6-di(propan-2-yl)-4,6,7,8-tetrahydro-2H-pyrrolo[3,2-c]azepine?
The canonical SMILES for 5,6-di(propan-2-yl)-4,6,7,8-tetrahydro-2H-pyrrolo[3,2-c]azepine is CC(C)C1CCC2=NCC=C2CN1C(C)C.
What is the InChIKey of 5,6-di(propan-2-yl)-4,6,7,8-tetrahydro-2H-pyrrolo[3,2-c]azepine?
The InChIKey is SJMKZAPEMNQRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10(2)14-6-5-13-12(7-8-15-13)9-16(14)11(3)4/h7,10-11,14H,5-6,8-9H2,1-4H3.
What are the key properties of 5,6-di(propan-2-yl)-4,6,7,8-tetrahydro-2H-pyrrolo[3,2-c]azepine?
5,6-di(propan-2-yl)-4,6,7,8-tetrahydro-2H-pyrrolo[3,2-c]azepine has a molecular weight of 220.36 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-yl)-4,6,7,8-tetrahydro-2H-pyrrolo[3,2-c]azepine is sourced from PubChem (CID 175612384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).