2,3-dimethyl-N-pent-4-enyloxolan-3-amine

C11H21NO — CID 103581245

IUPAC2,3-dimethyl-N-pent-4-enyloxolan-3-amine
SMILESC=CCCCNC1(C)CCOC1C
InChIInChI=1S/C11H21NO/c1-4-5-6-8-12-11(3)7-9-13-10(11)2/h4,10,12H,1,5-9H2,2-3H3
InChIKeyIWXVXPPYABQARV-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds5

About 2,3-dimethyl-N-pent-4-enyloxolan-3-amine

2,3-dimethyl-N-pent-4-enyloxolan-3-amine (PubChem CID 103581245) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,3-dimethyl-N-pent-4-enyloxolan-3-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-pent-4-enyloxolan-3-amine
PubChem CID103581245
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,3-dimethyl-N-pent-4-enyloxolan-3-amine
SMILESC=CCCCNC1(C)CCOC1C
InChIInChI=1S/C11H21NO/c1-4-5-6-8-12-11(3)7-9-13-10(11)2/h4,10,12H,1,5-9H2,2-3H3
InChIKeyIWXVXPPYABQARV-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
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 2,3-dimethyl-N-pent-4-enyloxolan-3-amine?
The IUPAC name of 2,3-dimethyl-N-pent-4-enyloxolan-3-amine (CID 103581245) is 2,3-dimethyl-N-pent-4-enyloxolan-3-amine.
What is the SMILES notation for 2,3-dimethyl-N-pent-4-enyloxolan-3-amine?
The canonical SMILES for 2,3-dimethyl-N-pent-4-enyloxolan-3-amine is C=CCCCNC1(C)CCOC1C.
What is the InChIKey of 2,3-dimethyl-N-pent-4-enyloxolan-3-amine?
The InChIKey is IWXVXPPYABQARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-8-12-11(3)7-9-13-10(11)2/h4,10,12H,1,5-9H2,2-3H3.
What are the key properties of 2,3-dimethyl-N-pent-4-enyloxolan-3-amine?
2,3-dimethyl-N-pent-4-enyloxolan-3-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-pent-4-enyloxolan-3-amine is sourced from PubChem (CID 103581245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).