3-pentan-2-yloxan-3-amine

C10H21NO — CID 107892383

IUPAC3-pentan-2-yloxan-3-amine
SMILESCCCC(C)C1(N)CCCOC1
InChIInChI=1S/C10H21NO/c1-3-5-9(2)10(11)6-4-7-12-8-10/h9H,3-8,11H2,1-2H3
InChIKeyMSSZQAOHAZELPP-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds3

About 3-pentan-2-yloxan-3-amine

3-pentan-2-yloxan-3-amine (PubChem CID 107892383) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-pentan-2-yloxan-3-amine.

Molecular Properties

Compound Name3-pentan-2-yloxan-3-amine
PubChem CID107892383
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-pentan-2-yloxan-3-amine
SMILESCCCC(C)C1(N)CCCOC1
InChIInChI=1S/C10H21NO/c1-3-5-9(2)10(11)6-4-7-12-8-10/h9H,3-8,11H2,1-2H3
InChIKeyMSSZQAOHAZELPP-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yloxan-3-amine?
The IUPAC name of 3-pentan-2-yloxan-3-amine (CID 107892383) is 3-pentan-2-yloxan-3-amine.
What is the SMILES notation for 3-pentan-2-yloxan-3-amine?
The canonical SMILES for 3-pentan-2-yloxan-3-amine is CCCC(C)C1(N)CCCOC1.
What is the InChIKey of 3-pentan-2-yloxan-3-amine?
The InChIKey is MSSZQAOHAZELPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-9(2)10(11)6-4-7-12-8-10/h9H,3-8,11H2,1-2H3.
What are the key properties of 3-pentan-2-yloxan-3-amine?
3-pentan-2-yloxan-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yloxan-3-amine is sourced from PubChem (CID 107892383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).