3-ethyl-4-propan-2-yl-2H-pyran-2-amine

C10H17NO — CID 151825020

IUPAC3-ethyl-4-propan-2-yl-2H-pyran-2-amine
SMILESCCC1=C(C(C)C)C=COC1N
InChIInChI=1S/C10H17NO/c1-4-8-9(7(2)3)5-6-12-10(8)11/h5-7,10H,4,11H2,1-3H3
InChIKeySDKUXIVUHMXTKL-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.18
Rot. Bonds2

About 3-ethyl-4-propan-2-yl-2H-pyran-2-amine

3-ethyl-4-propan-2-yl-2H-pyran-2-amine (PubChem CID 151825020) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-ethyl-4-propan-2-yl-2H-pyran-2-amine.

Molecular Properties

Compound Name3-ethyl-4-propan-2-yl-2H-pyran-2-amine
PubChem CID151825020
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-ethyl-4-propan-2-yl-2H-pyran-2-amine
SMILESCCC1=C(C(C)C)C=COC1N
InChIInChI=1S/C10H17NO/c1-4-8-9(7(2)3)5-6-12-10(8)11/h5-7,10H,4,11H2,1-3H3
InChIKeySDKUXIVUHMXTKL-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-propan-2-yl-2H-pyran-2-amine?
The IUPAC name of 3-ethyl-4-propan-2-yl-2H-pyran-2-amine (CID 151825020) is 3-ethyl-4-propan-2-yl-2H-pyran-2-amine.
What is the SMILES notation for 3-ethyl-4-propan-2-yl-2H-pyran-2-amine?
The canonical SMILES for 3-ethyl-4-propan-2-yl-2H-pyran-2-amine is CCC1=C(C(C)C)C=COC1N.
What is the InChIKey of 3-ethyl-4-propan-2-yl-2H-pyran-2-amine?
The InChIKey is SDKUXIVUHMXTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-8-9(7(2)3)5-6-12-10(8)11/h5-7,10H,4,11H2,1-3H3.
What are the key properties of 3-ethyl-4-propan-2-yl-2H-pyran-2-amine?
3-ethyl-4-propan-2-yl-2H-pyran-2-amine has a molecular weight of 167.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-propan-2-yl-2H-pyran-2-amine is sourced from PubChem (CID 151825020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).