N-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine

C9H17NO — CID 146497565

IUPACN-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine
SMILESCC(C)CNC1C2COCC21
InChIInChI=1S/C9H17NO/c1-6(2)3-10-9-7-4-11-5-8(7)9/h6-10H,3-5H2,1-2H3
InChIKeyJPKGDXLENJAPHI-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds3

About N-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine

N-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine (PubChem CID 146497565) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine
PubChem CID146497565
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine
SMILESCC(C)CNC1C2COCC21
InChIInChI=1S/C9H17NO/c1-6(2)3-10-9-7-4-11-5-8(7)9/h6-10H,3-5H2,1-2H3
InChIKeyJPKGDXLENJAPHI-UHFFFAOYSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine (CID 146497565) is N-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine is CC(C)CNC1C2COCC21.
What is the InChIKey of N-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine?
The InChIKey is JPKGDXLENJAPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6(2)3-10-9-7-4-11-5-8(7)9/h6-10H,3-5H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine?
N-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine has a molecular weight of 155.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-oxabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 146497565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).