N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine

C17H33NO2 — CID 106451100

IUPACN-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine
SMILESCCNC1CC(OCCOCC(C)C)C12CCCCC2
InChIInChI=1S/C17H33NO2/c1-4-18-15-12-16(17(15)8-6-5-7-9-17)20-11-10-19-13-14(2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyPXZBVYHTTLLYGR-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.38
Rot. Bonds8

About N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine

N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine (PubChem CID 106451100) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine
PubChem CID106451100
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC NameN-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine
SMILESCCNC1CC(OCCOCC(C)C)C12CCCCC2
InChIInChI=1S/C17H33NO2/c1-4-18-15-12-16(17(15)8-6-5-7-9-17)20-11-10-19-13-14(2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyPXZBVYHTTLLYGR-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine
CID 66357172
N-ethyl-3-(4-methylpentoxy)spiro[3.5]nonan-1-amine
CID 66358237
N-ethyl-3-heptoxyspiro[3.6]decan-1-amine
CID 66357419
N-ethyl-3-pentoxyspiro[3.4]octan-1-amine
CID 66356663
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.6]decan-1-amine
CID 82956691
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine
CID 82958075
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
CID 65168000
3-cyclohexyloxy-N-ethylspiro[3.5]nonan-1-amine
CID 66358779
3-butoxy-N-propylspiro[3.6]decan-1-amine
CID 66357055
N-ethyl-3-(2-methylbutan-2-yloxy)spiro[3.4]octan-1-amine
CID 66359457
N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
CID 66350530
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-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine?
The IUPAC name of N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine (CID 106451100) is N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine.
What is the SMILES notation for N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine?
The canonical SMILES for N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine is CCNC1CC(OCCOCC(C)C)C12CCCCC2.
What is the InChIKey of N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine?
The InChIKey is PXZBVYHTTLLYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-18-15-12-16(17(15)8-6-5-7-9-17)20-11-10-19-13-14(2)3/h14-16,18H,4-13H2,1-3H3.
What are the key properties of N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine?
N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine is sourced from PubChem (CID 106451100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).