N-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C18H30N2O — CID 159702561

IUPACN-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCCNCC.CN1CCC2(CC1)c1ccccc1C[C@H]2O
InChIInChI=1S/C14H19NO.C4H11N/c1-15-8-6-14(7-9-15)12-5-3-2-4-11(12)10-13(14)16;1-3-5-4-2/h2-5,13,16H,6-10H2,1H3;5H,3-4H2,1-2H3/t13-;/m1./s1
InChIKeyMXUQPQSAYJIAED-BTQNPOSSSA-N
MW290.45 g/mol
LogP2.18
Rot. Bonds2

About N-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

N-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 159702561) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound NameN-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID159702561
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCCNCC.CN1CCC2(CC1)c1ccccc1C[C@H]2O
InChIInChI=1S/C14H19NO.C4H11N/c1-15-8-6-14(7-9-15)12-5-3-2-4-11(12)10-13(14)16;1-3-5-4-2/h2-5,13,16H,6-10H2,1H3;5H,3-4H2,1-2H3/t13-;/m1./s1
InChIKeyMXUQPQSAYJIAED-BTQNPOSSSA-N
XLogP2.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

rel-(2R,3R)-3-[(2-methoxyethyl)(methyl)amino]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 28957610
(1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 29001303
rel-(2R,3R)-3-{methyl[3-(1-pyrrolidinyl)propyl]amino}-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 29256289
rel-(2R,3R)-3-[(3-methoxypropyl)(methyl)amino]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol bis(trifluoroacetate) (salt)
CID 31161860
1'-[3-(1-Piperazinyl)propanoyl]-2,3-dihydrospiro[indene-1,4'-piperidin]-2-ol
CID 56909026
N-[2-(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-2-oxoethyl]urea
CID 56917337
alpha-Methyl-4-phenylpiperidine-4-methanol
CID 118153
alpha-Ethyl-4-phenylpiperidine-4-methanol
CID 11970733
6-fluoro-2,2-dimethyl-1-piperidin-4-yl-3H-inden-1-ol
CID 58951185
2-(6-Fluoro-3-methyl-3-piperidin-4-yl-1,2-dihydroinden-1-yl)ethanol
CID 142832263
cis-2-(2-Piperidylmethyl)-1-indanol
CID 24839426
(1R,2R)-1-[2-[cyclopentyl(methyl)amino]ethyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 30853383

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of N-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 159702561) is N-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for N-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for N-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is CCNCC.CN1CCC2(CC1)c1ccccc1C[C@H]2O.
What is the InChIKey of N-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is MXUQPQSAYJIAED-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H19NO.C4H11N/c1-15-8-6-14(7-9-15)12-5-3-2-4-11(12)10-13(14)16;1-3-5-4-2/h2-5,13,16H,6-10H2,1H3;5H,3-4H2,1-2H3/t13-;/m1./s1.
What are the key properties of N-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
N-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 290.45 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;(2R)-1'-methylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 159702561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).