(1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine

C17H25NO — CID 124844434

IUPAC(1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine
SMILESC[C@H](NC[C@@H]1CCc2ccccc21)[C@]1(C)CCCO1
InChIInChI=1S/C17H25NO/c1-13(17(2)10-5-11-19-17)18-12-15-9-8-14-6-3-4-7-16(14)15/h3-4,6-7,13,15,18H,5,8-12H2,1-2H3/t13-,15-,17-/m0/s1
InChIKeyGHLJCDXTUXRIBM-QRTARXTBSA-N
MW259.39 g/mol
LogP3.26
Rot. Bonds4

About (1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine

(1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine (PubChem CID 124844434) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine
PubChem CID124844434
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine
SMILESC[C@H](NC[C@@H]1CCc2ccccc21)[C@]1(C)CCCO1
InChIInChI=1S/C17H25NO/c1-13(17(2)10-5-11-19-17)18-12-15-9-8-14-6-3-4-7-16(14)15/h3-4,6-7,13,15,18H,5,8-12H2,1-2H3/t13-,15-,17-/m0/s1
InChIKeyGHLJCDXTUXRIBM-QRTARXTBSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine with MolForge

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Related Compounds

(1R)-1-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81384440
1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine
CID 166237285
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine
CID 114416758
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-methyloxan-2-yl)ethanol
CID 80684236
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 104770514
4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butan-2-amine
CID 83188117
1-ethyl-2,3-dihydro-1H-indene
CID 20971
(1R)-1-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81347497
3-(2,3-dihydro-1H-inden-1-ylmethylamino)-2-methyl-3-oxopropanoic acid
CID 122065562
3-[(propan-2-ylamino)methyl]-2,3-dihydro-1H-inden-5-ol
CID 105458052
1-N,1-N-dimethyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butane-1,3-diamine
CID 63771246
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine?
The IUPAC name of (1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine (CID 124844434) is (1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine.
What is the SMILES notation for (1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine?
The canonical SMILES for (1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine is C[C@H](NC[C@@H]1CCc2ccccc21)[C@]1(C)CCCO1.
What is the InChIKey of (1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine?
The InChIKey is GHLJCDXTUXRIBM-QRTARXTBSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(17(2)10-5-11-19-17)18-12-15-9-8-14-6-3-4-7-16(14)15/h3-4,6-7,13,15,18H,5,8-12H2,1-2H3/t13-,15-,17-/m0/s1.
What are the key properties of (1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine?
(1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-1-[(2S)-2-methyloxolan-2-yl]ethanamine is sourced from PubChem (CID 124844434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).