5-butan-2-yl-4-methyloxolan-3-amine

C9H19NO — CID 121478744

IUPAC5-butan-2-yl-4-methyloxolan-3-amine
SMILESCCC(C)C1OCC(N)C1C
InChIInChI=1S/C9H19NO/c1-4-6(2)9-7(3)8(10)5-11-9/h6-9H,4-5,10H2,1-3H3
InChIKeyGCOXRUBMSWVKKG-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.39
Rot. Bonds2

About 5-butan-2-yl-4-methyloxolan-3-amine

5-butan-2-yl-4-methyloxolan-3-amine (PubChem CID 121478744) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-butan-2-yl-4-methyloxolan-3-amine.

Molecular Properties

Compound Name5-butan-2-yl-4-methyloxolan-3-amine
PubChem CID121478744
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-butan-2-yl-4-methyloxolan-3-amine
SMILESCCC(C)C1OCC(N)C1C
InChIInChI=1S/C9H19NO/c1-4-6(2)9-7(3)8(10)5-11-9/h6-9H,4-5,10H2,1-3H3
InChIKeyGCOXRUBMSWVKKG-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-4-methyloxolan-3-amine?
The IUPAC name of 5-butan-2-yl-4-methyloxolan-3-amine (CID 121478744) is 5-butan-2-yl-4-methyloxolan-3-amine.
What is the SMILES notation for 5-butan-2-yl-4-methyloxolan-3-amine?
The canonical SMILES for 5-butan-2-yl-4-methyloxolan-3-amine is CCC(C)C1OCC(N)C1C.
What is the InChIKey of 5-butan-2-yl-4-methyloxolan-3-amine?
The InChIKey is GCOXRUBMSWVKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6(2)9-7(3)8(10)5-11-9/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 5-butan-2-yl-4-methyloxolan-3-amine?
5-butan-2-yl-4-methyloxolan-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-methyloxolan-3-amine is sourced from PubChem (CID 121478744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).