2,7-di(propan-2-yl)-5,6,8,9-tetrahydro-1H-pyrrolo[3,2-h][3]benzazepine

C18H26N2 — CID 70811014

IUPAC2,7-di(propan-2-yl)-5,6,8,9-tetrahydro-1H-pyrrolo[3,2-h][3]benzazepine
SMILESCC(C)c1cc2cc3c(cc2[nH]1)CCN(C(C)C)CC3
InChIInChI=1S/C18H26N2/c1-12(2)17-11-16-9-14-5-7-20(13(3)4)8-6-15(14)10-18(16)19-17/h9-13,19H,5-8H2,1-4H3
InChIKeyBZCJCXLEOYTWHJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.10
Rot. Bonds2

About 2,7-di(propan-2-yl)-5,6,8,9-tetrahydro-1H-pyrrolo[3,2-h][3]benzazepine

2,7-di(propan-2-yl)-5,6,8,9-tetrahydro-1H-pyrrolo[3,2-h][3]benzazepine (PubChem CID 70811014) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-5,6,8,9-tetrahydro-1H-pyrrolo[3,2-h][3]benzazepine.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-5,6,8,9-tetrahydro-1H-pyrrolo[3,2-h][3]benzazepine
PubChem CID70811014
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2,7-di(propan-2-yl)-5,6,8,9-tetrahydro-1H-pyrrolo[3,2-h][3]benzazepine
SMILESCC(C)c1cc2cc3c(cc2[nH]1)CCN(C(C)C)CC3
InChIInChI=1S/C18H26N2/c1-12(2)17-11-16-9-14-5-7-20(13(3)4)8-6-15(14)10-18(16)19-17/h9-13,19H,5-8H2,1-4H3
InChIKeyBZCJCXLEOYTWHJ-UHFFFAOYSA-N
XLogP4.10
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-5,6,8,9-tetrahydro-1H-pyrrolo[3,2-h][3]benzazepine?
The IUPAC name of 2,7-di(propan-2-yl)-5,6,8,9-tetrahydro-1H-pyrrolo[3,2-h][3]benzazepine (CID 70811014) is 2,7-di(propan-2-yl)-5,6,8,9-tetrahydro-1H-pyrrolo[3,2-h][3]benzazepine.
What is the SMILES notation for 2,7-di(propan-2-yl)-5,6,8,9-tetrahydro-1H-pyrrolo[3,2-h][3]benzazepine?
The canonical SMILES for 2,7-di(propan-2-yl)-5,6,8,9-tetrahydro-1H-pyrrolo[3,2-h][3]benzazepine is CC(C)c1cc2cc3c(cc2[nH]1)CCN(C(C)C)CC3.
What is the InChIKey of 2,7-di(propan-2-yl)-5,6,8,9-tetrahydro-1H-pyrrolo[3,2-h][3]benzazepine?
The InChIKey is BZCJCXLEOYTWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-12(2)17-11-16-9-14-5-7-20(13(3)4)8-6-15(14)10-18(16)19-17/h9-13,19H,5-8H2,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)-5,6,8,9-tetrahydro-1H-pyrrolo[3,2-h][3]benzazepine?
2,7-di(propan-2-yl)-5,6,8,9-tetrahydro-1H-pyrrolo[3,2-h][3]benzazepine has a molecular weight of 270.42 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-5,6,8,9-tetrahydro-1H-pyrrolo[3,2-h][3]benzazepine is sourced from PubChem (CID 70811014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).