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

C15H23N — CID 82919598

IUPAC1-(2-ethylbutyl)-2,3-dihydroinden-1-amine
SMILESCCC(CC)CC1(N)CCc2ccccc21
InChIInChI=1S/C15H23N/c1-3-12(4-2)11-15(16)10-9-13-7-5-6-8-14(13)15/h5-8,12H,3-4,9-11,16H2,1-2H3
InChIKeyROWJIHBKEFCTJH-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.61
Rot. Bonds4

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

1-(2-ethylbutyl)-2,3-dihydroinden-1-amine (PubChem CID 82919598) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(2-ethylbutyl)-2,3-dihydroinden-1-amine
PubChem CID82919598
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(2-ethylbutyl)-2,3-dihydroinden-1-amine
SMILESCCC(CC)CC1(N)CCc2ccccc21
InChIInChI=1S/C15H23N/c1-3-12(4-2)11-15(16)10-9-13-7-5-6-8-14(13)15/h5-8,12H,3-4,9-11,16H2,1-2H3
InChIKeyROWJIHBKEFCTJH-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-1-amino-2,3-dihydroinden-1-yl]methanol
CID 51892318
1-(2-chloroethyl)-2,3-dihydroinden-1-amine
CID 172761296
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
1-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 62622359
methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate
CID 134496722
1-(2-tert-butylsulfanylethyl)-2,3-dihydroinden-1-amine
CID 114271563
(5-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61055624
[1-(2-methylbutyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 63521983
1-(1-amino-2,3-dihydroinden-1-yl)propan-1-one
CID 70096888
(1S)-1-(2-methylpropyl)-2,3-dihydroinden-1-ol
CID 138978133
1-[(3-chlorothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 112749484
1-(2-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
CID 65408733

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(2-ethylbutyl)-2,3-dihydroinden-1-amine (CID 82919598) is 1-(2-ethylbutyl)-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(2-ethylbutyl)-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(2-ethylbutyl)-2,3-dihydroinden-1-amine is CCC(CC)CC1(N)CCc2ccccc21.
What is the InChIKey of 1-(2-ethylbutyl)-2,3-dihydroinden-1-amine?
The InChIKey is ROWJIHBKEFCTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-12(4-2)11-15(16)10-9-13-7-5-6-8-14(13)15/h5-8,12H,3-4,9-11,16H2,1-2H3.
What are the key properties of 1-(2-ethylbutyl)-2,3-dihydroinden-1-amine?
1-(2-ethylbutyl)-2,3-dihydroinden-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-2,3-dihydroinden-1-amine is sourced from PubChem (CID 82919598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).