N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine

C14H19NO — CID 82815198

IUPACN-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine
SMILESCC1(C)Cc2ccccc2C1NC1COC1
InChIInChI=1S/C14H19NO/c1-14(2)7-10-5-3-4-6-12(10)13(14)15-11-8-16-9-11/h3-6,11,13,15H,7-9H2,1-2H3
InChIKeyZHFINUYVCITHOF-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.30
Rot. Bonds2

About N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine

N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine (PubChem CID 82815198) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine
PubChem CID82815198
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine
SMILESCC1(C)Cc2ccccc2C1NC1COC1
InChIInChI=1S/C14H19NO/c1-14(2)7-10-5-3-4-6-12(10)13(14)15-11-8-16-9-11/h3-6,11,13,15H,7-9H2,1-2H3
InChIKeyZHFINUYVCITHOF-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine?
The IUPAC name of N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine (CID 82815198) is N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine.
What is the SMILES notation for N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine?
The canonical SMILES for N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine is CC1(C)Cc2ccccc2C1NC1COC1.
What is the InChIKey of N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine?
The InChIKey is ZHFINUYVCITHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2)7-10-5-3-4-6-12(10)13(14)15-11-8-16-9-11/h3-6,11,13,15H,7-9H2,1-2H3.
What are the key properties of N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine?
N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine has a molecular weight of 217.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine is sourced from PubChem (CID 82815198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).