2,5-dimethyl-N-propan-2-yloxolan-3-amine

C9H19NO — CID 118390752

IUPAC2,5-dimethyl-N-propan-2-yloxolan-3-amine
SMILESCC(C)NC1CC(C)OC1C
InChIInChI=1S/C9H19NO/c1-6(2)10-9-5-7(3)11-8(9)4/h6-10H,5H2,1-4H3
InChIKeyMFZXDMHVISWRHG-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds2

About 2,5-dimethyl-N-propan-2-yloxolan-3-amine

2,5-dimethyl-N-propan-2-yloxolan-3-amine (PubChem CID 118390752) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,5-dimethyl-N-propan-2-yloxolan-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-propan-2-yloxolan-3-amine
PubChem CID118390752
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,5-dimethyl-N-propan-2-yloxolan-3-amine
SMILESCC(C)NC1CC(C)OC1C
InChIInChI=1S/C9H19NO/c1-6(2)10-9-5-7(3)11-8(9)4/h6-10H,5H2,1-4H3
InChIKeyMFZXDMHVISWRHG-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-propan-2-yloxolan-3-amine?
The IUPAC name of 2,5-dimethyl-N-propan-2-yloxolan-3-amine (CID 118390752) is 2,5-dimethyl-N-propan-2-yloxolan-3-amine.
What is the SMILES notation for 2,5-dimethyl-N-propan-2-yloxolan-3-amine?
The canonical SMILES for 2,5-dimethyl-N-propan-2-yloxolan-3-amine is CC(C)NC1CC(C)OC1C.
What is the InChIKey of 2,5-dimethyl-N-propan-2-yloxolan-3-amine?
The InChIKey is MFZXDMHVISWRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6(2)10-9-5-7(3)11-8(9)4/h6-10H,5H2,1-4H3.
What are the key properties of 2,5-dimethyl-N-propan-2-yloxolan-3-amine?
2,5-dimethyl-N-propan-2-yloxolan-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-propan-2-yloxolan-3-amine is sourced from PubChem (CID 118390752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).