N-but-3-en-2-yl-2,3-dimethyloxolan-3-amine

C10H19NO — CID 103581164

IUPACN-but-3-en-2-yl-2,3-dimethyloxolan-3-amine
SMILESC=CC(C)NC1(C)CCOC1C
InChIInChI=1S/C10H19NO/c1-5-8(2)11-10(4)6-7-12-9(10)3/h5,8-9,11H,1,6-7H2,2-4H3
InChIKeyGHLJYDFXWZMMBH-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds3

About N-but-3-en-2-yl-2,3-dimethyloxolan-3-amine

N-but-3-en-2-yl-2,3-dimethyloxolan-3-amine (PubChem CID 103581164) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-but-3-en-2-yl-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-2,3-dimethyloxolan-3-amine
PubChem CID103581164
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-but-3-en-2-yl-2,3-dimethyloxolan-3-amine
SMILESC=CC(C)NC1(C)CCOC1C
InChIInChI=1S/C10H19NO/c1-5-8(2)11-10(4)6-7-12-9(10)3/h5,8-9,11H,1,6-7H2,2-4H3
InChIKeyGHLJYDFXWZMMBH-UHFFFAOYSA-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-but-3-en-2-yl-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-but-3-en-2-yl-2,3-dimethyloxolan-3-amine (CID 103581164) is N-but-3-en-2-yl-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-but-3-en-2-yl-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-but-3-en-2-yl-2,3-dimethyloxolan-3-amine is C=CC(C)NC1(C)CCOC1C.
What is the InChIKey of N-but-3-en-2-yl-2,3-dimethyloxolan-3-amine?
The InChIKey is GHLJYDFXWZMMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-8(2)11-10(4)6-7-12-9(10)3/h5,8-9,11H,1,6-7H2,2-4H3.
What are the key properties of N-but-3-en-2-yl-2,3-dimethyloxolan-3-amine?
N-but-3-en-2-yl-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-but-3-en-2-yl-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 103581164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).