(5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine

C6H11NO — CID 170915193

IUPAC(5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine
SMILESCC1(N)C2COC[C@@H]21
InChIInChI=1S/C6H11NO/c1-6(7)4-2-8-3-5(4)6/h4-5H,2-3,7H2,1H3/t4-,5?,6?/m0/s1
InChIKeyAYGJEEXETGTOBM-KXGSVCODSA-N
MW113.16 g/mol
LogP-0.02
Rot. Bonds

About (5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine

(5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine (PubChem CID 170915193) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine
PubChem CID170915193
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine
SMILESCC1(N)C2COC[C@@H]21
InChIInChI=1S/C6H11NO/c1-6(7)4-2-8-3-5(4)6/h4-5H,2-3,7H2,1H3/t4-,5?,6?/m0/s1
InChIKeyAYGJEEXETGTOBM-KXGSVCODSA-N
XLogP-0.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine
CID 170792756
4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan
CID 130381830
1-methylcyclopropane-1,2,3-triamine
CID 163904501
(1S,5R)-6-methyl-6-(4-methylpent-3-enyl)-3-oxabicyclo[3.1.0]hexane
CID 101410501
9,9-dimethyl-3-oxabicyclo[3.3.1]nonane
CID 159685606
1-methyltricyclo[2.1.0.02,5]pentane
CID 86129037
4,4-dimethyloxolan-3-amine;hydrochloride
CID 67002020
3-methyl-3-(oxetan-3-yl)dioxetane
CID 175456347
(3R,4R)-oxolane-3,4-diamine;hydrochloride
CID 89488201
(3R)-3,4-dimethyloxolane;ethene
CID 145261700
1-methylcyclopropane-1,2-diamine
CID 15182447
ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine
CID 163257599

Frequently Asked Questions

What is the IUPAC name of (5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine (CID 170915193) is (5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine is CC1(N)C2COC[C@@H]21.
What is the InChIKey of (5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine?
The InChIKey is AYGJEEXETGTOBM-KXGSVCODSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(7)4-2-8-3-5(4)6/h4-5H,2-3,7H2,1H3/t4-,5?,6?/m0/s1.
What are the key properties of (5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine?
(5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine has a molecular weight of 113.16 g/mol, XLogP of -0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 170915193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).