2-methyl-N-pent-4-enyloxolan-3-amine

C10H19NO — CID 82725683

IUPAC2-methyl-N-pent-4-enyloxolan-3-amine
SMILESC=CCCCNC1CCOC1C
InChIInChI=1S/C10H19NO/c1-3-4-5-7-11-10-6-8-12-9(10)2/h3,9-11H,1,4-8H2,2H3
InChIKeyIWUZLDPLWVVEQD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds5

About 2-methyl-N-pent-4-enyloxolan-3-amine

2-methyl-N-pent-4-enyloxolan-3-amine (PubChem CID 82725683) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-N-pent-4-enyloxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-pent-4-enyloxolan-3-amine
PubChem CID82725683
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-N-pent-4-enyloxolan-3-amine
SMILESC=CCCCNC1CCOC1C
InChIInChI=1S/C10H19NO/c1-3-4-5-7-11-10-6-8-12-9(10)2/h3,9-11H,1,4-8H2,2H3
InChIKeyIWUZLDPLWVVEQD-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pent-4-enyloxolan-3-amine?
The IUPAC name of 2-methyl-N-pent-4-enyloxolan-3-amine (CID 82725683) is 2-methyl-N-pent-4-enyloxolan-3-amine.
What is the SMILES notation for 2-methyl-N-pent-4-enyloxolan-3-amine?
The canonical SMILES for 2-methyl-N-pent-4-enyloxolan-3-amine is C=CCCCNC1CCOC1C.
What is the InChIKey of 2-methyl-N-pent-4-enyloxolan-3-amine?
The InChIKey is IWUZLDPLWVVEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-5-7-11-10-6-8-12-9(10)2/h3,9-11H,1,4-8H2,2H3.
What are the key properties of 2-methyl-N-pent-4-enyloxolan-3-amine?
2-methyl-N-pent-4-enyloxolan-3-amine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pent-4-enyloxolan-3-amine is sourced from PubChem (CID 82725683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).