N-benzyloxolan-3-amine

C11H15NO — CID 14977996

IUPACN-benzyloxolan-3-amine
SMILESc1ccc(CNC2CCOC2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-12-11-6-7-13-9-11/h1-5,11-12H,6-9H2
InChIKeyFBMSAAPBKKNIEI-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.57
Rot. Bonds3

About N-benzyloxolan-3-amine

N-benzyloxolan-3-amine (PubChem CID 14977996) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-benzyloxolan-3-amine.

Molecular Properties

Compound NameN-benzyloxolan-3-amine
PubChem CID14977996
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-benzyloxolan-3-amine
SMILESc1ccc(CNC2CCOC2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-12-11-6-7-13-9-11/h1-5,11-12H,6-9H2
InChIKeyFBMSAAPBKKNIEI-UHFFFAOYSA-N
XLogP1.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyloxolan-3-amine?
The IUPAC name of N-benzyloxolan-3-amine (CID 14977996) is N-benzyloxolan-3-amine.
What is the SMILES notation for N-benzyloxolan-3-amine?
The canonical SMILES for N-benzyloxolan-3-amine is c1ccc(CNC2CCOC2)cc1.
What is the InChIKey of N-benzyloxolan-3-amine?
The InChIKey is FBMSAAPBKKNIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-12-11-6-7-13-9-11/h1-5,11-12H,6-9H2.
What are the key properties of N-benzyloxolan-3-amine?
N-benzyloxolan-3-amine has a molecular weight of 177.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyloxolan-3-amine is sourced from PubChem (CID 14977996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).