N-benzyl-5,5-dimethyloxolan-3-amine

C13H19NO — CID 122163726

IUPACN-benzyl-5,5-dimethyloxolan-3-amine
SMILESCC1(C)CC(NCc2ccccc2)CO1
InChIInChI=1S/C13H19NO/c1-13(2)8-12(10-15-13)14-9-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3
InChIKeyGSXDTXXZNSUHDR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.34
Rot. Bonds3

About N-benzyl-5,5-dimethyloxolan-3-amine

N-benzyl-5,5-dimethyloxolan-3-amine (PubChem CID 122163726) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-benzyl-5,5-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-benzyl-5,5-dimethyloxolan-3-amine
PubChem CID122163726
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-benzyl-5,5-dimethyloxolan-3-amine
SMILESCC1(C)CC(NCc2ccccc2)CO1
InChIInChI=1S/C13H19NO/c1-13(2)8-12(10-15-13)14-9-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3
InChIKeyGSXDTXXZNSUHDR-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,5-dimethyloxolan-3-amine?
The IUPAC name of N-benzyl-5,5-dimethyloxolan-3-amine (CID 122163726) is N-benzyl-5,5-dimethyloxolan-3-amine.
What is the SMILES notation for N-benzyl-5,5-dimethyloxolan-3-amine?
The canonical SMILES for N-benzyl-5,5-dimethyloxolan-3-amine is CC1(C)CC(NCc2ccccc2)CO1.
What is the InChIKey of N-benzyl-5,5-dimethyloxolan-3-amine?
The InChIKey is GSXDTXXZNSUHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2)8-12(10-15-13)14-9-11-6-4-3-5-7-11/h3-7,12,14H,8-10H2,1-2H3.
What are the key properties of N-benzyl-5,5-dimethyloxolan-3-amine?
N-benzyl-5,5-dimethyloxolan-3-amine has a molecular weight of 205.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,5-dimethyloxolan-3-amine is sourced from PubChem (CID 122163726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).