[1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine

C16H23N3 — CID 62977112

IUPAC[1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1(N2CCc3ccccc32)CCN(C2CC2)C1
InChIInChI=1S/C16H23N3/c17-11-16(8-10-18(12-16)14-5-6-14)19-9-7-13-3-1-2-4-15(13)19/h1-4,14H,5-12,17H2
InChIKeyHNWPFACUQCBSSE-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.61
Rot. Bonds3

About [1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine

[1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine (PubChem CID 62977112) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is [1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine
PubChem CID62977112
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name[1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1(N2CCc3ccccc32)CCN(C2CC2)C1
InChIInChI=1S/C16H23N3/c17-11-16(8-10-18(12-16)14-5-6-14)19-9-7-13-3-1-2-4-15(13)19/h1-4,14H,5-12,17H2
InChIKeyHNWPFACUQCBSSE-UHFFFAOYSA-N
XLogP1.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine (CID 62977112) is [1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine is NCC1(N2CCc3ccccc32)CCN(C2CC2)C1.
What is the InChIKey of [1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is HNWPFACUQCBSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c17-11-16(8-10-18(12-16)14-5-6-14)19-9-7-13-3-1-2-4-15(13)19/h1-4,14H,5-12,17H2.
What are the key properties of [1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine?
[1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62977112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).