[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride

C6H12ClNO — CID 131698275

IUPAC[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride
SMILESCl.NCC1[C@H]2COC[C@@H]12
InChIInChI=1S/C6H11NO.ClH/c7-1-4-5-2-8-3-6(4)5;/h4-6H,1-3,7H2;1H/t4?,5-,6+;
InChIKeyKSIVBRSOHYOUPY-DKECMWHCSA-N
MW149.62 g/mol
LogP0.26
Rot. Bonds1

About [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride

[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride (PubChem CID 131698275) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride
PubChem CID131698275
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride
SMILESCl.NCC1[C@H]2COC[C@@H]12
InChIInChI=1S/C6H11NO.ClH/c7-1-4-5-2-8-3-6(4)5;/h4-6H,1-3,7H2;1H/t4?,5-,6+;
InChIKeyKSIVBRSOHYOUPY-DKECMWHCSA-N
XLogP0.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Oxan-4-yl)ethan-1-amine
CID 2773198
2-(Oxolan-3-yl)ethan-1-amine
CID 22355254
(Oxan-4-yl)methanamine hydrochloride
CID 44118690
2-(Oxan-4-yl)ethan-1-amine hydrochloride
CID 44118695
3-Oxabicyclo[3.1.0]hexan-6-amine hydrochloride
CID 57452014
(1R,5S,6R)-3-oxabicyclo[3.1.0]hexan-6-amine hydrochloride
CID 91647632
3-Oxabicyclo(3.1.0)hexan-6-ylmethanamine hydrochloride
CID 119031187
2-Fluoro-2-(oxolan-3-yl)ethan-1-amine hydrochloride
CID 122239796
((1R,5S)-3-Oxabicyclo[3.1.0]hexan-1-yl)methanamine hydrochloride
CID 155290616
{3-Oxabicyclo[3.1.0]hexan-6-yl}methanamine
CID 55285751
Oxan-4-ylmethylazanium;chloride
CID 2773211
2-(Oxan-4-yl)ethylazanium;chloride
CID 2773440

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride?
The IUPAC name of [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride (CID 131698275) is [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride.
What is the SMILES notation for [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride?
The canonical SMILES for [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride is Cl.NCC1[C@H]2COC[C@@H]12.
What is the InChIKey of [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride?
The InChIKey is KSIVBRSOHYOUPY-DKECMWHCSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c7-1-4-5-2-8-3-6(4)5;/h4-6H,1-3,7H2;1H/t4?,5-,6+;.
What are the key properties of [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride?
[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride is sourced from PubChem (CID 131698275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).