trans-(1R,2R)-2-methoxy-N-methyl-N-propan-2-ylcyclopropan-1-amine

C8H17NO — CID 172508261

IUPACtrans-(1R,2R)-2-methoxy-N-methyl-N-propan-2-ylcyclopropan-1-amine
SMILESCO[C@@H]1C[C@H]1N(C)C(C)C
InChIInChI=1S/C8H17NO/c1-6(2)9(3)7-5-8(7)10-4/h6-8H,5H2,1-4H3/t7-,8-/m1/s1
InChIKeyDXZLYVRPVZABHY-HTQZYQBOSA-N
MW143.23 g/mol
LogP1.11
Rot. Bonds3

About trans-(1R,2R)-2-methoxy-N-methyl-N-propan-2-ylcyclopropan-1-amine

trans-(1R,2R)-2-methoxy-N-methyl-N-propan-2-ylcyclopropan-1-amine (PubChem CID 172508261) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is trans-(1R,2R)-2-methoxy-N-methyl-N-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methoxy-N-methyl-N-propan-2-ylcyclopropan-1-amine
PubChem CID172508261
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nametrans-(1R,2R)-2-methoxy-N-methyl-N-propan-2-ylcyclopropan-1-amine
SMILESCO[C@@H]1C[C@H]1N(C)C(C)C
InChIInChI=1S/C8H17NO/c1-6(2)9(3)7-5-8(7)10-4/h6-8H,5H2,1-4H3/t7-,8-/m1/s1
InChIKeyDXZLYVRPVZABHY-HTQZYQBOSA-N
XLogP1.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methoxy-N-methyl-N-propan-2-ylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2R)-2-methoxy-N-methyl-N-propan-2-ylcyclopropan-1-amine (CID 172508261) is trans-(1R,2R)-2-methoxy-N-methyl-N-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-methoxy-N-methyl-N-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-methoxy-N-methyl-N-propan-2-ylcyclopropan-1-amine is CO[C@@H]1C[C@H]1N(C)C(C)C.
What is the InChIKey of trans-(1R,2R)-2-methoxy-N-methyl-N-propan-2-ylcyclopropan-1-amine?
The InChIKey is DXZLYVRPVZABHY-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)9(3)7-5-8(7)10-4/h6-8H,5H2,1-4H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methoxy-N-methyl-N-propan-2-ylcyclopropan-1-amine?
trans-(1R,2R)-2-methoxy-N-methyl-N-propan-2-ylcyclopropan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methoxy-N-methyl-N-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 172508261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).