6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine

C8H15NO — CID 170792756

IUPAC6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine
SMILESCC(C)C1(N)C2COCC21
InChIInChI=1S/C8H15NO/c1-5(2)8(9)6-3-10-4-7(6)8/h5-7H,3-4,9H2,1-2H3
InChIKeyZLQAZKGRPTWHSB-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.62
Rot. Bonds1

About 6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine

6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine (PubChem CID 170792756) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine
PubChem CID170792756
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine
SMILESCC(C)C1(N)C2COCC21
InChIInChI=1S/C8H15NO/c1-5(2)8(9)6-3-10-4-7(6)8/h5-7H,3-4,9H2,1-2H3
InChIKeyZLQAZKGRPTWHSB-UHFFFAOYSA-N
XLogP0.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-6-methyl-3-oxabicyclo[3.1.0]hexan-6-amine
CID 170915193
3a-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
CID 155649507
6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine
CID 130517388
N-(2-methyl-2-propan-2-ylcyclopropyl)oxetan-3-amine
CID 130913793
N-propan-2-yloxetan-3-amine
CID 53393300
4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan
CID 130381830
1-propan-2-yl-3-oxabicyclo[3.1.1]heptane
CID 177123035
3-propan-2-yloxirane-2,2,3-triamine
CID 163890820
2-(3,7-dioxa-9-azabicyclo[3.3.1]nonan-9-yl)propan-1-amine
CID 130856942
(2R,4S)-2,4-dimethyl-2-propan-2-yl-1,3-oxathiolane
CID 131854769
oxirane;propan-2-amine
CID 163631422
[2-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)propyl]hydrazine
CID 131181906

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine (CID 170792756) is 6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine is CC(C)C1(N)C2COCC21.
What is the InChIKey of 6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine?
The InChIKey is ZLQAZKGRPTWHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5(2)8(9)6-3-10-4-7(6)8/h5-7H,3-4,9H2,1-2H3.
What are the key properties of 6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine?
6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine has a molecular weight of 141.21 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3-oxabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 170792756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).