N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine

C8H15NO — CID 20806715

IUPACN-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine
SMILESCC(C)NCC1=CCOC1
InChIInChI=1S/C8H15NO/c1-7(2)9-5-8-3-4-10-6-8/h3,7,9H,4-6H2,1-2H3
InChIKeyRULGTYUCRWAPRI-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds3

About N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine

N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine (PubChem CID 20806715) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine
PubChem CID20806715
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine
SMILESCC(C)NCC1=CCOC1
InChIInChI=1S/C8H15NO/c1-7(2)9-5-8-3-4-10-6-8/h3,7,9H,4-6H2,1-2H3
InChIKeyRULGTYUCRWAPRI-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine?
The IUPAC name of N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine (CID 20806715) is N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine is CC(C)NCC1=CCOC1.
What is the InChIKey of N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine?
The InChIKey is RULGTYUCRWAPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)9-5-8-3-4-10-6-8/h3,7,9H,4-6H2,1-2H3.
What are the key properties of N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine?
N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 20806715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).