N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine

C18H29N3 — CID 106622354

IUPACN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccc2c(c1)CCN2C)CC1CCCCN1
InChIInChI=1S/C18H29N3/c1-3-21(14-17-6-4-5-10-19-17)13-15-7-8-18-16(12-15)9-11-20(18)2/h7-8,12,17,19H,3-6,9-11,13-14H2,1-2H3
InChIKeyGFCIZHBHWDWCKY-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.64
Rot. Bonds5

About N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106622354) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106622354
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccc2c(c1)CCN2C)CC1CCCCN1
InChIInChI=1S/C18H29N3/c1-3-21(14-17-6-4-5-10-19-17)13-15-7-8-18-16(12-15)9-11-20(18)2/h7-8,12,17,19H,3-6,9-11,13-14H2,1-2H3
InChIKeyGFCIZHBHWDWCKY-UHFFFAOYSA-N
XLogP2.64
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol
CID 107692162
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid
CID 65062421
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106622609
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
N-[(4-ethoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603504
4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol
CID 106623196
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632392
N-[(5-nitrothiophen-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106622573
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine (CID 106622354) is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine is CCN(Cc1ccc2c(c1)CCN2C)CC1CCCCN1.
What is the InChIKey of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is GFCIZHBHWDWCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-21(14-17-6-4-5-10-19-17)13-15-7-8-18-16(12-15)9-11-20(18)2/h7-8,12,17,19H,3-6,9-11,13-14H2,1-2H3.
What are the key properties of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine?
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 287.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106622354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).