ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

C17H27NO — CID 144639263

IUPACethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCN[C@@H]1CCc2ccc(OC)cc21.CC.CC
InChIInChI=1S/C13H15NO.2C2H6/c1-3-8-14-13-7-5-10-4-6-11(15-2)9-12(10)13;2*1-2/h1,4,6,9,13-14H,5,7-8H2,2H3;2*1-2H3/t13-;;/m1../s1
InChIKeyYRLPWRACCANTMO-FFXKMJQXSA-N
MW261.41 g/mol
LogP3.96
Rot. Bonds3

About ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 144639263) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Nameethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
PubChem CID144639263
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Nameethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
SMILESC#CCN[C@@H]1CCc2ccc(OC)cc21.CC.CC
InChIInChI=1S/C13H15NO.2C2H6/c1-3-8-14-13-7-5-10-4-6-11(15-2)9-12(10)13;2*1-2/h1,4,6,9,13-14H,5,7-8H2,2H3;2*1-2H3/t13-;;/m1../s1
InChIKeyYRLPWRACCANTMO-FFXKMJQXSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 130014165
[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate
CID 15908437
[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-ethylcarbamate
CID 11022796
methane;[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate
CID 157291818
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
methyl N-[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
CID 87815510
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366842
4-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115715635
N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367214
6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 113429607
1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 79370226

Frequently Asked Questions

What is the IUPAC name of ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine (CID 144639263) is ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine is C#CCN[C@@H]1CCc2ccc(OC)cc21.CC.CC.
What is the InChIKey of ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YRLPWRACCANTMO-FFXKMJQXSA-N. The full InChI is InChI=1S/C13H15NO.2C2H6/c1-3-8-14-13-7-5-10-4-6-11(15-2)9-12(10)13;2*1-2/h1,4,6,9,13-14H,5,7-8H2,2H3;2*1-2H3/t13-;;/m1../s1.
What are the key properties of ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 144639263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).