1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine

C13H17N — CID 117280910

IUPAC1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine
SMILESNC1(c2cccc3c2CCC3)CCC1
InChIInChI=1S/C13H17N/c14-13(8-3-9-13)12-7-2-5-10-4-1-6-11(10)12/h2,5,7H,1,3-4,6,8-9,14H2
InChIKeySUJKCYDGGZOOSH-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.51
Rot. Bonds1

About 1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine

1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine (PubChem CID 117280910) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine
PubChem CID117280910
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine
SMILESNC1(c2cccc3c2CCC3)CCC1
InChIInChI=1S/C13H17N/c14-13(8-3-9-13)12-7-2-5-10-4-1-6-11(10)12/h2,5,7H,1,3-4,6,8-9,14H2
InChIKeySUJKCYDGGZOOSH-UHFFFAOYSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine (CID 117280910) is 1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine is NC1(c2cccc3c2CCC3)CCC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine?
The InChIKey is SUJKCYDGGZOOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c14-13(8-3-9-13)12-7-2-5-10-4-1-6-11(10)12/h2,5,7H,1,3-4,6,8-9,14H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine?
1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.51, 1 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-4-yl)cyclobutan-1-amine is sourced from PubChem (CID 117280910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).