N-methyl-2-(oxan-4-yloxy)propan-1-amine

C9H19NO2 — CID 62440891

IUPACN-methyl-2-(oxan-4-yloxy)propan-1-amine
SMILESCNCC(C)OC1CCOCC1
InChIInChI=1S/C9H19NO2/c1-8(7-10-2)12-9-3-5-11-6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyULESPXDKDXBDJS-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.79
Rot. Bonds4

About N-methyl-2-(oxan-4-yloxy)propan-1-amine

N-methyl-2-(oxan-4-yloxy)propan-1-amine (PubChem CID 62440891) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-yloxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-yloxy)propan-1-amine
PubChem CID62440891
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-methyl-2-(oxan-4-yloxy)propan-1-amine
SMILESCNCC(C)OC1CCOCC1
InChIInChI=1S/C9H19NO2/c1-8(7-10-2)12-9-3-5-11-6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyULESPXDKDXBDJS-UHFFFAOYSA-N
XLogP0.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-yloxy)propan-1-amine?
The IUPAC name of N-methyl-2-(oxan-4-yloxy)propan-1-amine (CID 62440891) is N-methyl-2-(oxan-4-yloxy)propan-1-amine.
What is the SMILES notation for N-methyl-2-(oxan-4-yloxy)propan-1-amine?
The canonical SMILES for N-methyl-2-(oxan-4-yloxy)propan-1-amine is CNCC(C)OC1CCOCC1.
What is the InChIKey of N-methyl-2-(oxan-4-yloxy)propan-1-amine?
The InChIKey is ULESPXDKDXBDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(7-10-2)12-9-3-5-11-6-4-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-methyl-2-(oxan-4-yloxy)propan-1-amine?
N-methyl-2-(oxan-4-yloxy)propan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-yloxy)propan-1-amine is sourced from PubChem (CID 62440891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).