(3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine

C10H18N2O — CID 130942023

IUPAC(3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine
SMILESN[C@H]1COCC[C@@H]1N1CCC2CC21
InChIInChI=1S/C10H18N2O/c11-8-6-13-4-2-9(8)12-3-1-7-5-10(7)12/h7-10H,1-6,11H2/t7?,8-,9-,10?/m0/s1
InChIKeyTUCHWBDTCNJIIM-ZNHWEVIXSA-N
MW182.27 g/mol
LogP0.20
Rot. Bonds1

About (3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine

(3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine (PubChem CID 130942023) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine
PubChem CID130942023
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine
SMILESN[C@H]1COCC[C@@H]1N1CCC2CC21
InChIInChI=1S/C10H18N2O/c11-8-6-13-4-2-9(8)12-3-1-7-5-10(7)12/h7-10H,1-6,11H2/t7?,8-,9-,10?/m0/s1
InChIKeyTUCHWBDTCNJIIM-ZNHWEVIXSA-N
XLogP0.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-piperidin-1-yloxan-3-amine
CID 67361386
1-[(3R,4R)-3-aminooxan-4-yl]piperidin-4-one
CID 67359848
(3R,4S)-4-fluorooxan-3-amine
CID 86337690
1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine
CID 118454807
azane;4-cyclopropyloxan-3-amine;dihydrochloride
CID 67359568
2-(3-methylmorpholin-4-yl)cyclooctan-1-amine
CID 43542065
1-azatricyclo[4.2.0.02,4]octane
CID 131843917
azane;4-cyclohexyloxan-3-amine;hydrochloride
CID 67358979
ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine
CID 164548076
3-(4-propan-2-ylpiperidin-1-yl)oxan-4-amine
CID 103495081
4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine
CID 134321617
3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]oxan-4-amine
CID 62967867

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine?
The IUPAC name of (3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine (CID 130942023) is (3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine.
What is the SMILES notation for (3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine?
The canonical SMILES for (3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine is N[C@H]1COCC[C@@H]1N1CCC2CC21.
What is the InChIKey of (3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine?
The InChIKey is TUCHWBDTCNJIIM-ZNHWEVIXSA-N. The full InChI is InChI=1S/C10H18N2O/c11-8-6-13-4-2-9(8)12-3-1-7-5-10(7)12/h7-10H,1-6,11H2/t7?,8-,9-,10?/m0/s1.
What are the key properties of (3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine?
(3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine has a molecular weight of 182.27 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(2-azabicyclo[3.1.0]hexan-2-yl)oxan-3-amine is sourced from PubChem (CID 130942023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).