2-(2-ethylhexyl)-1,3-dihydroinden-2-amine

C17H27N — CID 63408261

IUPAC2-(2-ethylhexyl)-1,3-dihydroinden-2-amine
SMILESCCCCC(CC)CC1(N)Cc2ccccc2C1
InChIInChI=1S/C17H27N/c1-3-5-8-14(4-2)11-17(18)12-15-9-6-7-10-16(15)13-17/h6-7,9-10,14H,3-5,8,11-13,18H2,1-2H3
InChIKeyOVZUCFMTWDJDHU-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.09
Rot. Bonds6

About 2-(2-ethylhexyl)-1,3-dihydroinden-2-amine

2-(2-ethylhexyl)-1,3-dihydroinden-2-amine (PubChem CID 63408261) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-(2-ethylhexyl)-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-(2-ethylhexyl)-1,3-dihydroinden-2-amine
PubChem CID63408261
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-(2-ethylhexyl)-1,3-dihydroinden-2-amine
SMILESCCCCC(CC)CC1(N)Cc2ccccc2C1
InChIInChI=1S/C17H27N/c1-3-5-8-14(4-2)11-17(18)12-15-9-6-7-10-16(15)13-17/h6-7,9-10,14H,3-5,8,11-13,18H2,1-2H3
InChIKeyOVZUCFMTWDJDHU-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylhexyl)cyclopropan-1-amine
CID 66024000
2-(2-ethylhexyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 65408549
15,15-bis(2-ethylhexyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene
CID 86062212
1-(2-ethylhexyl)-4-methylcyclohexan-1-amine
CID 63407642
3-(2-ethylhexyl)-3-phenylazetidine
CID 79451049
2-pentan-2-yl-1,3-dihydroinden-2-amine
CID 107892275
1-(2-ethylbutyl)-2,3-dihydroinden-1-amine
CID 82919598
2,7-bis[4-[9,9-bis(2-ethylhexyl)fluoren-2-yl]phenyl]-9,9-bis(2-ethylhexyl)fluorene
CID 101111092
ethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)butanoate
CID 62393323
2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55185776
2-(1-hydroxypentyl)-1,3-dihydroindene-2-carbonitrile
CID 79133045
2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine
CID 43127698

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)-1,3-dihydroinden-2-amine?
The IUPAC name of 2-(2-ethylhexyl)-1,3-dihydroinden-2-amine (CID 63408261) is 2-(2-ethylhexyl)-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-(2-ethylhexyl)-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-(2-ethylhexyl)-1,3-dihydroinden-2-amine is CCCCC(CC)CC1(N)Cc2ccccc2C1.
What is the InChIKey of 2-(2-ethylhexyl)-1,3-dihydroinden-2-amine?
The InChIKey is OVZUCFMTWDJDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-5-8-14(4-2)11-17(18)12-15-9-6-7-10-16(15)13-17/h6-7,9-10,14H,3-5,8,11-13,18H2,1-2H3.
What are the key properties of 2-(2-ethylhexyl)-1,3-dihydroinden-2-amine?
2-(2-ethylhexyl)-1,3-dihydroinden-2-amine has a molecular weight of 245.41 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 2-(2-ethylhexyl)-1,3-dihydroinden-2-amine is sourced from PubChem (CID 63408261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).