3-methyl-N-[2-(oxolan-3-yl)ethyl]but-2-en-1-amine

C11H21NO — CID 103529249

IUPAC3-methyl-N-[2-(oxolan-3-yl)ethyl]but-2-en-1-amine
SMILESCC(C)=CCNCCC1CCOC1
InChIInChI=1S/C11H21NO/c1-10(2)3-6-12-7-4-11-5-8-13-9-11/h3,11-12H,4-9H2,1-2H3
InChIKeyXNMQYDPLMGBSTE-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds5

About 3-methyl-N-[2-(oxolan-3-yl)ethyl]but-2-en-1-amine

3-methyl-N-[2-(oxolan-3-yl)ethyl]but-2-en-1-amine (PubChem CID 103529249) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-methyl-N-[2-(oxolan-3-yl)ethyl]but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(oxolan-3-yl)ethyl]but-2-en-1-amine
PubChem CID103529249
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-methyl-N-[2-(oxolan-3-yl)ethyl]but-2-en-1-amine
SMILESCC(C)=CCNCCC1CCOC1
InChIInChI=1S/C11H21NO/c1-10(2)3-6-12-7-4-11-5-8-13-9-11/h3,11-12H,4-9H2,1-2H3
InChIKeyXNMQYDPLMGBSTE-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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 3-methyl-N-[2-(oxolan-3-yl)ethyl]but-2-en-1-amine?
The IUPAC name of 3-methyl-N-[2-(oxolan-3-yl)ethyl]but-2-en-1-amine (CID 103529249) is 3-methyl-N-[2-(oxolan-3-yl)ethyl]but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(oxolan-3-yl)ethyl]but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-[2-(oxolan-3-yl)ethyl]but-2-en-1-amine is CC(C)=CCNCCC1CCOC1.
What is the InChIKey of 3-methyl-N-[2-(oxolan-3-yl)ethyl]but-2-en-1-amine?
The InChIKey is XNMQYDPLMGBSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)3-6-12-7-4-11-5-8-13-9-11/h3,11-12H,4-9H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(oxolan-3-yl)ethyl]but-2-en-1-amine?
3-methyl-N-[2-(oxolan-3-yl)ethyl]but-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(oxolan-3-yl)ethyl]but-2-en-1-amine is sourced from PubChem (CID 103529249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).