2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine

C11H21NO — CID 154668352

IUPAC2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine
SMILESC=CCCC1(CCNC)CCCO1
InChIInChI=1S/C11H21NO/c1-3-4-6-11(8-9-12-2)7-5-10-13-11/h3,12H,1,4-10H2,2H3
InChIKeySOSPNNLTJSMSSP-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds6

About 2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine

2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine (PubChem CID 154668352) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine
PubChem CID154668352
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine
SMILESC=CCCC1(CCNC)CCCO1
InChIInChI=1S/C11H21NO/c1-3-4-6-11(8-9-12-2)7-5-10-13-11/h3,12H,1,4-10H2,2H3
InChIKeySOSPNNLTJSMSSP-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[(5S)-5-methyl-4-methylidene-2-propyloxolan-2-yl]ethanamine
CID 89869633
N-methyl-1-(oxolan-2-yl)pent-4-en-2-amine
CID 61380669
N-methyl-1-(oxolan-2-yl)hept-6-en-2-amine
CID 64297423
N-methyl-1-(oxolan-2-yl)hex-5-en-2-amine
CID 64297424
1-(oxolan-3-yl)-N-propylhex-5-en-1-amine
CID 65329434
1-(oxolan-3-yl)-N-propylpent-4-en-1-amine
CID 65329655
N-methyl-1-(oxolan-3-yl)hex-5-en-1-amine
CID 65330081
N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine
CID 65330142
N-methyl-1-(oxolan-3-yl)pent-4-en-1-amine
CID 65330303
N-ethyl-1-(oxolan-3-yl)pent-4-en-1-amine
CID 65330364
N-methyl-1-(oxolan-3-yl)but-3-en-1-amine
CID 65330466
N-methyl-1-(oxolan-2-yl)but-3-en-2-amine
CID 65576387

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine (CID 154668352) is 2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine is C=CCCC1(CCNC)CCCO1.
What is the InChIKey of 2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine?
The InChIKey is SOSPNNLTJSMSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-6-11(8-9-12-2)7-5-10-13-11/h3,12H,1,4-10H2,2H3.
What are the key properties of 2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine?
2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine is sourced from PubChem (CID 154668352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).