2-(3-methyloxan-4-yl)propan-1-amine

C9H19NO — CID 83905272

IUPAC2-(3-methyloxan-4-yl)propan-1-amine
SMILESCC(CN)C1CCOCC1C
InChIInChI=1S/C9H19NO/c1-7(5-10)9-3-4-11-6-8(9)2/h7-9H,3-6,10H2,1-2H3
InChIKeyNUDZEWVYBWRSLW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.25
Rot. Bonds2

About 2-(3-methyloxan-4-yl)propan-1-amine

2-(3-methyloxan-4-yl)propan-1-amine (PubChem CID 83905272) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(3-methyloxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-methyloxan-4-yl)propan-1-amine
PubChem CID83905272
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(3-methyloxan-4-yl)propan-1-amine
SMILESCC(CN)C1CCOCC1C
InChIInChI=1S/C9H19NO/c1-7(5-10)9-3-4-11-6-8(9)2/h7-9H,3-6,10H2,1-2H3
InChIKeyNUDZEWVYBWRSLW-UHFFFAOYSA-N
XLogP1.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyloxan-4-yl)propan-1-amine?
The IUPAC name of 2-(3-methyloxan-4-yl)propan-1-amine (CID 83905272) is 2-(3-methyloxan-4-yl)propan-1-amine.
What is the SMILES notation for 2-(3-methyloxan-4-yl)propan-1-amine?
The canonical SMILES for 2-(3-methyloxan-4-yl)propan-1-amine is CC(CN)C1CCOCC1C.
What is the InChIKey of 2-(3-methyloxan-4-yl)propan-1-amine?
The InChIKey is NUDZEWVYBWRSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(5-10)9-3-4-11-6-8(9)2/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 2-(3-methyloxan-4-yl)propan-1-amine?
2-(3-methyloxan-4-yl)propan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyloxan-4-yl)propan-1-amine is sourced from PubChem (CID 83905272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).