1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine

C7H13NO — CID 84731084

IUPAC1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine
SMILESCC(N)C1C2CCOC21
InChIInChI=1S/C7H13NO/c1-4(8)6-5-2-3-9-7(5)6/h4-7H,2-3,8H2,1H3
InChIKeyMCVFQYGJBKPAOR-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.37
Rot. Bonds1

About 1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine

1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine (PubChem CID 84731084) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine.

Molecular Properties

Compound Name1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine
PubChem CID84731084
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine
SMILESCC(N)C1C2CCOC21
InChIInChI=1S/C7H13NO/c1-4(8)6-5-2-3-9-7(5)6/h4-7H,2-3,8H2,1H3
InChIKeyMCVFQYGJBKPAOR-UHFFFAOYSA-N
XLogP0.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-butan-2-yl-2-oxabicyclo[3.1.0]hexane
CID 166880351
2-methyloxetane;propan-2-amine
CID 18626824
1-(2-methyloxan-4-yl)ethanamine
CID 66437855
[(1R,5R,6S)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 124555816
[(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 96848250
1-(oxetan-2-yl)propan-2-amine
CID 84647721
[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 59234196
2-propan-2-yloxyoxetane
CID 123446123
1-(4,5-dimethyl-2-bicyclo[1.1.1]pentanyl)ethanamine
CID 163525148
(1R,2S,6R,7S)-3-oxatricyclo[5.3.0.02,6]decan-8-one
CID 15732126
(1R)-1-[(1R,3S,6R,7R,8R)-7-tricyclo[4.3.1.03,8]decanyl]ethanamine
CID 99948578
7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 79677956

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine?
The IUPAC name of 1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine (CID 84731084) is 1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine.
What is the SMILES notation for 1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine?
The canonical SMILES for 1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine is CC(N)C1C2CCOC21.
What is the InChIKey of 1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine?
The InChIKey is MCVFQYGJBKPAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4(8)6-5-2-3-9-7(5)6/h4-7H,2-3,8H2,1H3.
What are the key properties of 1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine?
1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine has a molecular weight of 127.19 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxabicyclo[3.1.0]hexan-6-yl)ethanamine is sourced from PubChem (CID 84731084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).