1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine

C12H23NO2 — CID 116721882

IUPAC1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine
SMILESCOC(C(N)CC1CCOCC1)C1CC1
InChIInChI=1S/C12H23NO2/c1-14-12(10-2-3-10)11(13)8-9-4-6-15-7-5-9/h9-12H,2-8,13H2,1H3
InChIKeyYKTQZKCVCNLASQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.56
Rot. Bonds5

About 1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine

1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine (PubChem CID 116721882) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine
PubChem CID116721882
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine
SMILESCOC(C(N)CC1CCOCC1)C1CC1
InChIInChI=1S/C12H23NO2/c1-14-12(10-2-3-10)11(13)8-9-4-6-15-7-5-9/h9-12H,2-8,13H2,1H3
InChIKeyYKTQZKCVCNLASQ-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine?
The IUPAC name of 1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine (CID 116721882) is 1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine?
The canonical SMILES for 1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine is COC(C(N)CC1CCOCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine?
The InChIKey is YKTQZKCVCNLASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-14-12(10-2-3-10)11(13)8-9-4-6-15-7-5-9/h9-12H,2-8,13H2,1H3.
What are the key properties of 1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine?
1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine has a molecular weight of 213.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine is sourced from PubChem (CID 116721882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).