2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine

C13H17N — CID 167047908

IUPAC2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine
SMILESCC1CCC12Cc1ccccc1C2N
InChIInChI=1S/C13H17N/c1-9-6-7-13(9)8-10-4-2-3-5-11(10)12(13)14/h2-5,9,12H,6-8,14H2,1H3
InChIKeyKXUFCQDKZBSKFW-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.66
Rot. Bonds

About 2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine

2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine (PubChem CID 167047908) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine.

Molecular Properties

Compound Name2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine
PubChem CID167047908
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine
SMILESCC1CCC12Cc1ccccc1C2N
InChIInChI=1S/C13H17N/c1-9-6-7-13(9)8-10-4-2-3-5-11(10)12(13)14/h2-5,9,12H,6-8,14H2,1H3
InChIKeyKXUFCQDKZBSKFW-UHFFFAOYSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1,3-dihydroinden-1-amine
CID 22175144
2,2-dipropyl-1,3-dihydroinden-1-amine
CID 156711835
(1R)-1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047869
(1S)-2,2-diethyl-1,3-dihydroinden-1-amine
CID 139524434
pentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene
CID 123914299
(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 139512047
spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ol
CID 13300016
1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene
CID 21433564
1-(2,3-dihydro-1H-inden-1-yl)-2-methylcyclopropan-1-amine
CID 79333614
1'-methylsulfonylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155649406
spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-ol
CID 21433631
6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene
CID 12522307

Frequently Asked Questions

What is the IUPAC name of 2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine?
The IUPAC name of 2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine (CID 167047908) is 2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine.
What is the SMILES notation for 2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine?
The canonical SMILES for 2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine is CC1CCC12Cc1ccccc1C2N.
What is the InChIKey of 2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine?
The InChIKey is KXUFCQDKZBSKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9-6-7-13(9)8-10-4-2-3-5-11(10)12(13)14/h2-5,9,12H,6-8,14H2,1H3.
What are the key properties of 2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine?
2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[1,3-dihydroindene-2,1'-cyclobutane]-1-amine is sourced from PubChem (CID 167047908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).