1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine

C15H31NO2 — CID 107506656

IUPAC1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine
SMILESCNC(COC)COC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H31NO2/c1-11(2)14-7-6-12(3)8-15(14)18-10-13(16-4)9-17-5/h11-16H,6-10H2,1-5H3
InChIKeyOTYZGKDDMJKQRU-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.70
Rot. Bonds7

About 1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine

1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine (PubChem CID 107506656) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine
PubChem CID107506656
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine
SMILESCNC(COC)COC1CC(C)CCC1C(C)C
InChIInChI=1S/C15H31NO2/c1-11(2)14-7-6-12(3)8-15(14)18-10-13(16-4)9-17-5/h11-16H,6-10H2,1-5H3
InChIKeyOTYZGKDDMJKQRU-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine (CID 107506656) is 1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine is CNC(COC)COC1CC(C)CCC1C(C)C.
What is the InChIKey of 1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine?
The InChIKey is OTYZGKDDMJKQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-11(2)14-7-6-12(3)8-15(14)18-10-13(16-4)9-17-5/h11-16H,6-10H2,1-5H3.
What are the key properties of 1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine?
1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine has a molecular weight of 257.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine is sourced from PubChem (CID 107506656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).