N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine

C18H28N2O — CID 45075084

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C18H28N2O/c1-21-10-8-19-13-15-5-4-9-20(14-15)18-11-16-6-2-3-7-17(16)12-18/h2-3,6-7,15,18-19H,4-5,8-14H2,1H3
InChIKeyYWJBFFLJYSZCJL-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.10
Rot. Bonds6

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine (PubChem CID 45075084) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine
PubChem CID45075084
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C18H28N2O/c1-21-10-8-19-13-15-5-4-9-20(14-15)18-11-16-6-2-3-7-17(16)12-18/h2-3,6-7,15,18-19H,4-5,8-14H2,1H3
InChIKeyYWJBFFLJYSZCJL-UHFFFAOYSA-N
XLogP2.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

3-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]amino}-2,2-dimethylpropan-1-ol
CID 23723651
N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)succinamide
CID 23723809
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N'-ethyl-N-(2-methoxyethyl)urea
CID 23723868
US10233152, Example 124
CID 129279746
US10233152, Example 119
CID 129280525
1-Indanamine, N-(2-morpholinopropionyl)-
CID 110879
4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, dihydrochloride, cis-
CID 3079966
4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, dihydrochloride, trans-
CID 3079968
1-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 22648168
Morforex
CID 3047774
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)-N'-propylurea
CID 23723799
N-(2,3-dihydro-1H-inden-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43512849

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine (CID 45075084) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine is COCCNCC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is YWJBFFLJYSZCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-21-10-8-19-13-15-5-4-9-20(14-15)18-11-16-6-2-3-7-17(16)12-18/h2-3,6-7,15,18-19H,4-5,8-14H2,1H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 288.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 45075084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).