N-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine

C11H19NO — CID 130496499

IUPACN-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine
SMILESC1CC(NC2CCC3CC32)CCO1
InChIInChI=1S/C11H19NO/c1-2-11(10-7-8(1)10)12-9-3-5-13-6-4-9/h8-12H,1-7H2
InChIKeyDUNDJYUESRTTLN-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds2

About N-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine

N-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine (PubChem CID 130496499) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine
PubChem CID130496499
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine
SMILESC1CC(NC2CCC3CC32)CCO1
InChIInChI=1S/C11H19NO/c1-2-11(10-7-8(1)10)12-9-3-5-13-6-4-9/h8-12H,1-7H2
InChIKeyDUNDJYUESRTTLN-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine?
The IUPAC name of N-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine (CID 130496499) is N-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine.
What is the SMILES notation for N-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine?
The canonical SMILES for N-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine is C1CC(NC2CCC3CC32)CCO1.
What is the InChIKey of N-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine?
The InChIKey is DUNDJYUESRTTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-11(10-7-8(1)10)12-9-3-5-13-6-4-9/h8-12H,1-7H2.
What are the key properties of N-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine?
N-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine has a molecular weight of 181.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[3.1.0]hexanyl)oxan-4-amine is sourced from PubChem (CID 130496499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).