N-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine

C14H27NO2 — CID 103904981

IUPACN-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESC=CCCOCCNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H27NO2/c1-6-7-9-16-10-8-15-12-11-13(2,3)17-14(12,4)5/h6,12,15H,1,7-11H2,2-5H3
InChIKeySJVQBGDRADWPGE-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.51
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine

N-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 103904981) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID103904981
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESC=CCCOCCNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H27NO2/c1-6-7-9-16-10-8-15-12-11-13(2,3)17-14(12,4)5/h6,12,15H,1,7-11H2,2-5H3
InChIKeySJVQBGDRADWPGE-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-[(2S)-2-methoxypent-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine
CID 90727869
N-(2-Methoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 75356339
N-(1-Methoxypropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine
CID 75356346
N-(3-Methoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 75356349
N-(2-Ethoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 75356355
2-methoxy-N,2-dimethylhept-6-en-3-amine
CID 79197556
2-methoxy-2-methyl-N-propylhept-6-en-3-amine
CID 79197937
N-ethyl-2-methoxy-2-methylhept-6-en-3-amine
CID 79198617
N-(3-ethenoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915914
2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine
CID 79916325
N-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79916341
N-cyclohex-3-en-1-yl-2,2,5,5-tetramethyloxolan-3-amine
CID 79927813

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 103904981) is N-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine is C=CCCOCCNC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is SJVQBGDRADWPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-7-9-16-10-8-15-12-11-13(2,3)17-14(12,4)5/h6,12,15H,1,7-11H2,2-5H3.
What are the key properties of N-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine?
N-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 241.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 103904981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).