(1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

C17H24N2 — CID 129294099

IUPAC(1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESc1ccc2c(c1)CC[C@]21C[C@@H]1NCC1CCNCC1
InChIInChI=1S/C17H24N2/c1-2-4-15-14(3-1)5-8-17(15)11-16(17)19-12-13-6-9-18-10-7-13/h1-4,13,16,18-19H,5-12H2/t16-,17-/m0/s1
InChIKeyWYLXLTAKPXJTKE-IRXDYDNUSA-N
MW256.39 g/mol
LogP2.23
Rot. Bonds3

About (1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

(1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (PubChem CID 129294099) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound Name(1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
PubChem CID129294099
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESc1ccc2c(c1)CC[C@]21C[C@@H]1NCC1CCNCC1
InChIInChI=1S/C17H24N2/c1-2-4-15-14(3-1)5-8-17(15)11-16(17)19-12-13-6-9-18-10-7-13/h1-4,13,16,18-19H,5-12H2/t16-,17-/m0/s1
InChIKeyWYLXLTAKPXJTKE-IRXDYDNUSA-N
XLogP2.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The IUPAC name of (1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (CID 129294099) is (1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.
What is the SMILES notation for (1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The canonical SMILES for (1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is c1ccc2c(c1)CC[C@]21C[C@@H]1NCC1CCNCC1.
What is the InChIKey of (1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The InChIKey is WYLXLTAKPXJTKE-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-4-15-14(3-1)5-8-17(15)11-16(17)19-12-13-6-9-18-10-7-13/h1-4,13,16,18-19H,5-12H2/t16-,17-/m0/s1.
What are the key properties of (1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
(1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine has a molecular weight of 256.39 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,3S)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 129294099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).