N-[(1-methylpiperidin-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

C18H26N2 — CID 122463403

IUPACN-[(1-methylpiperidin-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESCN1CCC(CNC2CC23CCc2ccccc23)CC1
InChIInChI=1S/C18H26N2/c1-20-10-7-14(8-11-20)13-19-17-12-18(17)9-6-15-4-2-3-5-16(15)18/h2-5,14,17,19H,6-13H2,1H3
InChIKeyMDLCEHMCIXYBGN-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.57
Rot. Bonds3

About N-[(1-methylpiperidin-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

N-[(1-methylpiperidin-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (PubChem CID 122463403) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
PubChem CID122463403
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESCN1CCC(CNC2CC23CCc2ccccc23)CC1
InChIInChI=1S/C18H26N2/c1-20-10-7-14(8-11-20)13-19-17-12-18(17)9-6-15-4-2-3-5-16(15)18/h2-5,14,17,19H,6-13H2,1H3
InChIKeyMDLCEHMCIXYBGN-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (CID 122463403) is N-[(1-methylpiperidin-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is CN1CCC(CNC2CC23CCc2ccccc23)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The InChIKey is MDLCEHMCIXYBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-20-10-7-14(8-11-20)13-19-17-12-18(17)9-6-15-4-2-3-5-16(15)18/h2-5,14,17,19H,6-13H2,1H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
N-[(1-methylpiperidin-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine has a molecular weight of 270.42 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 122463403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).