3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine

C18H29N — CID 79830391

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H29N/c1-14(2)13-19-11-10-18(3,4)17-9-8-15-6-5-7-16(15)12-17/h8-9,12,14,19H,5-7,10-11,13H2,1-4H3
InChIKeyOANNJAFUYSBOJV-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.09
Rot. Bonds6

About 3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine

3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 79830391) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID79830391
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H29N/c1-14(2)13-19-11-10-18(3,4)17-9-8-15-6-5-7-16(15)12-17/h8-9,12,14,19H,5-7,10-11,13H2,1-4H3
InChIKeyOANNJAFUYSBOJV-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.09
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)-N-ethyl-3-methylbutan-1-amine
CID 79830298
3-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830322
3-(4-iodophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830112
N'-[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196158
ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene
CID 144532564
3-(4-chloro-3-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033271
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-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 65308449
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 79830391) is 3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCC(C)(C)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is OANNJAFUYSBOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)13-19-11-10-18(3,4)17-9-8-15-6-5-7-16(15)12-17/h8-9,12,14,19H,5-7,10-11,13H2,1-4H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
3-(2,3-dihydro-1H-inden-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.09, 6 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)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 79830391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).