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

C9H19NO — CID 177009567

IUPAC(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine
SMILESCN[C@@H]([C@H]1C[C@H]1C)[C@H](C)OC
InChIInChI=1S/C9H19NO/c1-6-5-8(6)9(10-3)7(2)11-4/h6-10H,5H2,1-4H3/t6-,7+,8+,9-/m1/s1
InChIKeyCFMNHGFBWBVSQD-RYPBNFRJSA-N
MW157.26 g/mol
LogP1.27
Rot. Bonds4

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

(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine (PubChem CID 177009567) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine.

Molecular Properties

Compound Name(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine
PubChem CID177009567
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine
SMILESCN[C@@H]([C@H]1C[C@H]1C)[C@H](C)OC
InChIInChI=1S/C9H19NO/c1-6-5-8(6)9(10-3)7(2)11-4/h6-10H,5H2,1-4H3/t6-,7+,8+,9-/m1/s1
InChIKeyCFMNHGFBWBVSQD-RYPBNFRJSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine?
The IUPAC name of (1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine (CID 177009567) is (1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine.
What is the SMILES notation for (1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine?
The canonical SMILES for (1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine is CN[C@@H]([C@H]1C[C@H]1C)[C@H](C)OC.
What is the InChIKey of (1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine?
The InChIKey is CFMNHGFBWBVSQD-RYPBNFRJSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-5-8(6)9(10-3)7(2)11-4/h6-10H,5H2,1-4H3/t6-,7+,8+,9-/m1/s1.
What are the key properties of (1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine?
(1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-methoxy-N-methyl-1-[(1S,2R)-2-methylcyclopropyl]propan-1-amine is sourced from PubChem (CID 177009567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).