2-[5-(2-methylpropyl)oxolan-2-yl]ethanamine

C10H21NO — CID 130464376

IUPAC2-[5-(2-methylpropyl)oxolan-2-yl]ethanamine
SMILESCC(C)CC1CCC(CCN)O1
InChIInChI=1S/C10H21NO/c1-8(2)7-10-4-3-9(12-10)5-6-11/h8-10H,3-7,11H2,1-2H3
InChIKeyVAQQWDABFBEUGT-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds4

About 2-[5-(2-methylpropyl)oxolan-2-yl]ethanamine

2-[5-(2-methylpropyl)oxolan-2-yl]ethanamine (PubChem CID 130464376) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-[5-(2-methylpropyl)oxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-methylpropyl)oxolan-2-yl]ethanamine
PubChem CID130464376
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-[5-(2-methylpropyl)oxolan-2-yl]ethanamine
SMILESCC(C)CC1CCC(CCN)O1
InChIInChI=1S/C10H21NO/c1-8(2)7-10-4-3-9(12-10)5-6-11/h8-10H,3-7,11H2,1-2H3
InChIKeyVAQQWDABFBEUGT-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 2-[5-(2-methylpropyl)oxolan-2-yl]ethanamine?
The IUPAC name of 2-[5-(2-methylpropyl)oxolan-2-yl]ethanamine (CID 130464376) is 2-[5-(2-methylpropyl)oxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-methylpropyl)oxolan-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2-methylpropyl)oxolan-2-yl]ethanamine is CC(C)CC1CCC(CCN)O1.
What is the InChIKey of 2-[5-(2-methylpropyl)oxolan-2-yl]ethanamine?
The InChIKey is VAQQWDABFBEUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)7-10-4-3-9(12-10)5-6-11/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 2-[5-(2-methylpropyl)oxolan-2-yl]ethanamine?
2-[5-(2-methylpropyl)oxolan-2-yl]ethanamine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpropyl)oxolan-2-yl]ethanamine is sourced from PubChem (CID 130464376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).