1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine

C17H25N3 — CID 80648402

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
SMILESc1cc2c(c(CNCC3CCN(C4CC4)C3)c1)NCC2
InChIInChI=1S/C17H25N3/c1-2-14-6-8-19-17(14)15(3-1)11-18-10-13-7-9-20(12-13)16-4-5-16/h1-3,13,16,18-19H,4-12H2
InChIKeyDFSMUOHAUIKPAQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.23
Rot. Bonds5

About 1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine

1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine (PubChem CID 80648402) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
PubChem CID80648402
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
SMILESc1cc2c(c(CNCC3CCN(C4CC4)C3)c1)NCC2
InChIInChI=1S/C17H25N3/c1-2-14-6-8-19-17(14)15(3-1)11-18-10-13-7-9-20(12-13)16-4-5-16/h1-3,13,16,18-19H,4-12H2
InChIKeyDFSMUOHAUIKPAQ-UHFFFAOYSA-N
XLogP2.23
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine (CID 80648402) is 1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine is c1cc2c(c(CNCC3CCN(C4CC4)C3)c1)NCC2.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine?
The InChIKey is DFSMUOHAUIKPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-14-6-8-19-17(14)15(3-1)11-18-10-13-7-9-20(12-13)16-4-5-16/h1-3,13,16,18-19H,4-12H2.
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine?
1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine has a molecular weight of 271.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine is sourced from PubChem (CID 80648402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).