1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine

C20H33N — CID 65410933

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine
SMILESCCCCCCCCC(NCC)C1Cc2ccccc2C1
InChIInChI=1S/C20H33N/c1-3-5-6-7-8-9-14-20(21-4-2)19-15-17-12-10-11-13-18(17)16-19/h10-13,19-21H,3-9,14-16H2,1-2H3
InChIKeySICXXQIUBSJMCD-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.13
Rot. Bonds10

About 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine

1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine (PubChem CID 65410933) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine
PubChem CID65410933
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine
SMILESCCCCCCCCC(NCC)C1Cc2ccccc2C1
InChIInChI=1S/C20H33N/c1-3-5-6-7-8-9-14-20(21-4-2)19-15-17-12-10-11-13-18(17)16-19/h10-13,19-21H,3-9,14-16H2,1-2H3
InChIKeySICXXQIUBSJMCD-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.13
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

1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine
CID 65410934
1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine
CID 65412304
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylpropan-1-amine
CID 65410925
1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114475034
1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine
CID 83161369
1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine
CID 65411679
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethylpentan-1-amine
CID 64984207
1-(2,3-dihydro-1H-inden-2-yl)hexan-1-ol
CID 65411363
1-cyclobutyl-N-ethylundecan-1-amine
CID 64986983
1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine
CID 65412290
1-(2,3-dihydro-1H-inden-2-yl)-2-(nonan-3-ylamino)ethanol
CID 70386626
1-cyclohexyl-N-ethyldodecan-1-amine
CID 114981553

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine (CID 65410933) is 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine is CCCCCCCCC(NCC)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine?
The InChIKey is SICXXQIUBSJMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-3-5-6-7-8-9-14-20(21-4-2)19-15-17-12-10-11-13-18(17)16-19/h10-13,19-21H,3-9,14-16H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine?
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine is sourced from PubChem (CID 65410933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).