3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine

C16H25N — CID 79830298

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCCC(C)(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H25N/c1-4-17-11-10-16(2,3)15-9-8-13-6-5-7-14(13)12-15/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyVFGGBCYUNUNNRL-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.45
Rot. Bonds5

About 3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine

3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 79830298) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine
PubChem CID79830298
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNCCC(C)(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H25N/c1-4-17-11-10-16(2,3)15-9-8-13-6-5-7-14(13)12-15/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyVFGGBCYUNUNNRL-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830391
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830115
ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene
CID 144532564
N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196158
N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine
CID 115205551
2-(2,3-dihydro-1H-inden-5-yl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261409
3-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]propane-1-thiol
CID 115225322
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
N-ethyl-3-(4-iodophenyl)-3-methylbutan-1-amine
CID 79830111
2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]acetonitrile
CID 115131481
3-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]propanenitrile
CID 115231328
N-ethyl-3-(4-fluorophenyl)-3-methylbutan-1-amine
CID 79830560

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine (CID 79830298) is 3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine is CCNCCC(C)(C)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is VFGGBCYUNUNNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-17-11-10-16(2,3)15-9-8-13-6-5-7-14(13)12-15/h8-9,12,17H,4-7,10-11H2,1-3H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine?
3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 79830298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).