[(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine

C13H18N2 — CID 99109815

IUPAC[(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine
SMILESNC[C@@H]1C[C@@H]1CN1CCc2ccccc21
InChIInChI=1S/C13H18N2/c14-8-11-7-12(11)9-15-6-5-10-3-1-2-4-13(10)15/h1-4,11-12H,5-9,14H2/t11-,12+/m0/s1
InChIKeyLEMZYZWTWUEHLL-NWDGAFQWSA-N
MW202.30 g/mol
LogP1.64
Rot. Bonds3

About [(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine

[(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine (PubChem CID 99109815) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is [(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine
PubChem CID99109815
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name[(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine
SMILESNC[C@@H]1C[C@@H]1CN1CCc2ccccc21
InChIInChI=1S/C13H18N2/c14-8-11-7-12(11)9-15-6-5-10-3-1-2-4-13(10)15/h1-4,11-12H,5-9,14H2/t11-,12+/m0/s1
InChIKeyLEMZYZWTWUEHLL-NWDGAFQWSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine?
The IUPAC name of [(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine (CID 99109815) is [(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine.
What is the SMILES notation for [(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine?
The canonical SMILES for [(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine is NC[C@@H]1C[C@@H]1CN1CCc2ccccc21.
What is the InChIKey of [(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine?
The InChIKey is LEMZYZWTWUEHLL-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H18N2/c14-8-11-7-12(11)9-15-6-5-10-3-1-2-4-13(10)15/h1-4,11-12H,5-9,14H2/t11-,12+/m0/s1.
What are the key properties of [(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine?
[(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine has a molecular weight of 202.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(2,3-dihydroindol-1-ylmethyl)cyclopropyl]methanamine is sourced from PubChem (CID 99109815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).