ethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine

C11H25NO — CID 177010141

IUPACethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine
SMILESCC.CN[C@@H]([C@H]1C[C@H]1C)[C@H](C)OC
InChIInChI=1S/C9H19NO.C2H6/c1-6-5-8(6)9(10-3)7(2)11-4;1-2/h6-10H,5H2,1-4H3;1-2H3/t6-,7+,8+,9-;/m1./s1
InChIKeyOIIIXNYOTQMROG-WZSOELRKSA-N
MW187.33 g/mol
LogP2.29
Rot. Bonds4

About ethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine

ethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine (PubChem CID 177010141) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine.

Molecular Properties

Compound Nameethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine
PubChem CID177010141
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine
SMILESCC.CN[C@@H]([C@H]1C[C@H]1C)[C@H](C)OC
InChIInChI=1S/C9H19NO.C2H6/c1-6-5-8(6)9(10-3)7(2)11-4;1-2/h6-10H,5H2,1-4H3;1-2H3/t6-,7+,8+,9-;/m1./s1
InChIKeyOIIIXNYOTQMROG-WZSOELRKSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine?
The IUPAC name of ethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine (CID 177010141) is ethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine.
What is the SMILES notation for ethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine?
The canonical SMILES for ethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine is CC.CN[C@@H]([C@H]1C[C@H]1C)[C@H](C)OC.
What is the InChIKey of ethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine?
The InChIKey is OIIIXNYOTQMROG-WZSOELRKSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-6-5-8(6)9(10-3)7(2)11-4;1-2/h6-10H,5H2,1-4H3;1-2H3/t6-,7+,8+,9-;/m1./s1.
What are the key properties of ethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine?
ethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine is sourced from PubChem (CID 177010141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).