1-[1-[2-(dimethylamino)ethyl]-7,7a-dihydroindol-6-yl]pyrrolidin-3-amine

C16H26N4 — CID 70188326

IUPAC1-[1-[2-(dimethylamino)ethyl]-7,7a-dihydroindol-6-yl]pyrrolidin-3-amine
SMILESCN(C)CCN1C=CC2=CC=C(N3CCC(N)C3)CC21
InChIInChI=1S/C16H26N4/c1-18(2)9-10-19-7-5-13-3-4-15(11-16(13)19)20-8-6-14(17)12-20/h3-5,7,14,16H,6,8-12,17H2,1-2H3
InChIKeyLMDBCMJPZBEGCZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP0.99
Rot. Bonds4

About 1-[1-[2-(dimethylamino)ethyl]-7,7a-dihydroindol-6-yl]pyrrolidin-3-amine

1-[1-[2-(dimethylamino)ethyl]-7,7a-dihydroindol-6-yl]pyrrolidin-3-amine (PubChem CID 70188326) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]-7,7a-dihydroindol-6-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]-7,7a-dihydroindol-6-yl]pyrrolidin-3-amine
PubChem CID70188326
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[1-[2-(dimethylamino)ethyl]-7,7a-dihydroindol-6-yl]pyrrolidin-3-amine
SMILESCN(C)CCN1C=CC2=CC=C(N3CCC(N)C3)CC21
InChIInChI=1S/C16H26N4/c1-18(2)9-10-19-7-5-13-3-4-15(11-16(13)19)20-8-6-14(17)12-20/h3-5,7,14,16H,6,8-12,17H2,1-2H3
InChIKeyLMDBCMJPZBEGCZ-UHFFFAOYSA-N
XLogP0.99
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-7,7a-dihydroindol-6-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-7,7a-dihydroindol-6-yl]pyrrolidin-3-amine (CID 70188326) is 1-[1-[2-(dimethylamino)ethyl]-7,7a-dihydroindol-6-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]-7,7a-dihydroindol-6-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]-7,7a-dihydroindol-6-yl]pyrrolidin-3-amine is CN(C)CCN1C=CC2=CC=C(N3CCC(N)C3)CC21.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]-7,7a-dihydroindol-6-yl]pyrrolidin-3-amine?
The InChIKey is LMDBCMJPZBEGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-18(2)9-10-19-7-5-13-3-4-15(11-16(13)19)20-8-6-14(17)12-20/h3-5,7,14,16H,6,8-12,17H2,1-2H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]-7,7a-dihydroindol-6-yl]pyrrolidin-3-amine?
1-[1-[2-(dimethylamino)ethyl]-7,7a-dihydroindol-6-yl]pyrrolidin-3-amine has a molecular weight of 274.41 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]-7,7a-dihydroindol-6-yl]pyrrolidin-3-amine is sourced from PubChem (CID 70188326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).