N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine

C16H29NO2 — CID 103922077

IUPACN-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESC=CCCOCCNC1CC(OCC)C12CCCC2
InChIInChI=1S/C16H29NO2/c1-3-5-11-18-12-10-17-14-13-15(19-4-2)16(14)8-6-7-9-16/h3,14-15,17H,1,4-13H2,2H3
InChIKeyJXDVSCQQZPRQSJ-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.91
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine

N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine (PubChem CID 103922077) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
PubChem CID103922077
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESC=CCCOCCNC1CC(OCC)C12CCCC2
InChIInChI=1S/C16H29NO2/c1-3-5-11-18-12-10-17-14-13-15(19-4-2)16(14)8-6-7-9-16/h3,14-15,17H,1,4-13H2,2H3
InChIKeyJXDVSCQQZPRQSJ-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.91
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

2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol
CID 64862901
N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168043
N-(2-cyclopentyloxyethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864059
3-ethoxy-N-[(E)-pent-3-enyl]spiro[3.4]octan-1-amine
CID 115906306
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
N-(3-ethoxyspiro[3.4]octan-1-yl)-N',N'-diethylethane-1,2-diamine
CID 64862891
N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 115906347
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
CID 115517615

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine (CID 103922077) is N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine is C=CCCOCCNC1CC(OCC)C12CCCC2.
What is the InChIKey of N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine?
The InChIKey is JXDVSCQQZPRQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-5-11-18-12-10-17-14-13-15(19-4-2)16(14)8-6-7-9-16/h3,14-15,17H,1,4-13H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine?
N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.4]octan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 2.91, 9 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)-3-ethoxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 103922077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).