1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine

C17H22N2 — CID 18516642

IUPAC1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine
SMILESCc1ccc2c(c1)-c1c(ccn1CC(C)N)C2(C)C
InChIInChI=1S/C17H22N2/c1-11-5-6-14-13(9-11)16-15(17(14,3)4)7-8-19(16)10-12(2)18/h5-9,12H,10,18H2,1-4H3
InChIKeyIPIHGDDHIVDPOJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.45
Rot. Bonds2

About 1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine

1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine (PubChem CID 18516642) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine
PubChem CID18516642
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine
SMILESCc1ccc2c(c1)-c1c(ccn1CC(C)N)C2(C)C
InChIInChI=1S/C17H22N2/c1-11-5-6-14-13(9-11)16-15(17(14,3)4)7-8-19(16)10-12(2)18/h5-9,12H,10,18H2,1-4H3
InChIKeyIPIHGDDHIVDPOJ-UHFFFAOYSA-N
XLogP3.45
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine?
The IUPAC name of 1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine (CID 18516642) is 1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine?
The canonical SMILES for 1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine is Cc1ccc2c(c1)-c1c(ccn1CC(C)N)C2(C)C.
What is the InChIKey of 1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine?
The InChIKey is IPIHGDDHIVDPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-11-5-6-14-13(9-11)16-15(17(14,3)4)7-8-19(16)10-12(2)18/h5-9,12H,10,18H2,1-4H3.
What are the key properties of 1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine?
1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,7-trimethylindeno[1,2-b]pyrrol-1-yl)propan-2-amine is sourced from PubChem (CID 18516642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).