N-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine

C10H19NO — CID 103581211

IUPACN-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine
SMILESC/C=C/CNC1(C)CCOC1C
InChIInChI=1S/C10H19NO/c1-4-5-7-11-10(3)6-8-12-9(10)2/h4-5,9,11H,6-8H2,1-3H3/b5-4+
InChIKeyLMEQULJMFFOKKP-SNAWJCMRSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds3

About N-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine

N-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine (PubChem CID 103581211) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine
PubChem CID103581211
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine
SMILESC/C=C/CNC1(C)CCOC1C
InChIInChI=1S/C10H19NO/c1-4-5-7-11-10(3)6-8-12-9(10)2/h4-5,9,11H,6-8H2,1-3H3/b5-4+
InChIKeyLMEQULJMFFOKKP-SNAWJCMRSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine (CID 103581211) is N-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine is C/C=C/CNC1(C)CCOC1C.
What is the InChIKey of N-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine?
The InChIKey is LMEQULJMFFOKKP-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-7-11-10(3)6-8-12-9(10)2/h4-5,9,11H,6-8H2,1-3H3/b5-4+.
What are the key properties of N-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine?
N-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 103581211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).