N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine

C17H31NO2 — CID 103922078

IUPACN-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESC=CCCOCCNC1CC(OCC)C12CCCCC2
InChIInChI=1S/C17H31NO2/c1-3-5-12-19-13-11-18-15-14-16(20-4-2)17(15)9-7-6-8-10-17/h3,15-16,18H,1,4-14H2,2H3
InChIKeyHWOXJDGOGXEZKS-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.30
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine

N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 103922078) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID103922078
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESC=CCCOCCNC1CC(OCC)C12CCCCC2
InChIInChI=1S/C17H31NO2/c1-3-5-12-19-13-11-18-15-14-16(20-4-2)17(15)9-7-6-8-10-17/h3,15-16,18H,1,4-14H2,2H3
InChIKeyHWOXJDGOGXEZKS-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.30
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

3-ethoxy-N-(oxan-2-ylmethyl)spiro[3.5]nonan-1-amine
CID 65167887
3-ethoxy-N-(2-ethoxyethyl)spiro[3.5]nonan-1-amine
CID 65167907
N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168043
N-(2-butoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168171
3-ethoxy-N-(1-ethoxypropan-2-yl)spiro[3.5]nonan-1-amine
CID 65169229
3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]spiro[3.5]nonan-1-amine
CID 65169334
3-ethoxy-N-(1-methoxybutan-2-yl)spiro[3.5]nonan-1-amine
CID 65169453
3-ethoxy-N-(1-methoxypentan-2-yl)spiro[3.5]nonan-1-amine
CID 65169505
3-ethoxy-N-(1-methoxy-3-methylbutan-2-yl)spiro[3.5]nonan-1-amine
CID 65169563
3-ethoxy-N-[2-(3-methylbutoxy)ethyl]spiro[3.5]nonan-1-amine
CID 65169603
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169707
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine
CID 65170115

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine (CID 103922078) is N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine is C=CCCOCCNC1CC(OCC)C12CCCCC2.
What is the InChIKey of N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is HWOXJDGOGXEZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-3-5-12-19-13-11-18-15-14-16(20-4-2)17(15)9-7-6-8-10-17/h3,15-16,18H,1,4-14H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine?
N-(2-but-3-enoxyethyl)-3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.30, 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[3.5]nonan-1-amine is sourced from PubChem (CID 103922078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).