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

C17H27N — CID 65410934

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)C1Cc2ccccc2C1
InChIInChI=1S/C17H27N/c1-3-5-6-11-17(18-4-2)16-12-14-9-7-8-10-15(14)13-16/h7-10,16-18H,3-6,11-13H2,1-2H3
InChIKeyPSMOBFJDVOERHB-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.96
Rot. Bonds7

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

1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine (PubChem CID 65410934) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine
PubChem CID65410934
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine
SMILESCCCCCC(NCC)C1Cc2ccccc2C1
InChIInChI=1S/C17H27N/c1-3-5-6-11-17(18-4-2)16-12-14-9-7-8-10-15(14)13-16/h7-10,16-18H,3-6,11-13H2,1-2H3
InChIKeyPSMOBFJDVOERHB-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.96
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-ethylnonan-1-amine
CID 65410933
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-(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-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine
CID 65412290
1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine
CID 65411679
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine
CID 83161048
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pent-4-yn-1-amine
CID 65404592
1-cyclobutyl-N-ethylundecan-1-amine
CID 64986983

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine (CID 65410934) is 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine is CCCCCC(NCC)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine?
The InChIKey is PSMOBFJDVOERHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-5-6-11-17(18-4-2)16-12-14-9-7-8-10-15(14)13-16/h7-10,16-18H,3-6,11-13H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine?
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 3.96, 7 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-ethylhexan-1-amine is sourced from PubChem (CID 65410934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).