N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine

C16H29NO2 — CID 65168043

IUPACN-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESC=COCCCNC1CC(OCC)C12CCCCC2
InChIInChI=1S/C16H29NO2/c1-3-18-12-8-11-17-14-13-15(19-4-2)16(14)9-6-5-7-10-16/h3,14-15,17H,1,4-13H2,2H3
InChIKeyVBYWJNLPGQETNB-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.25
Rot. Bonds8

About N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine

N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 65168043) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID65168043
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESC=COCCCNC1CC(OCC)C12CCCCC2
InChIInChI=1S/C16H29NO2/c1-3-18-12-8-11-17-14-13-15(19-4-2)16(14)9-6-5-7-10-16/h3,14-15,17H,1,4-13H2,2H3
InChIKeyVBYWJNLPGQETNB-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine
CID 65169610
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
CID 66350084
N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
CID 66350745
N-ethyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine
CID 66356963
N-propyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine
CID 66359802
3-(2,2-difluoroethoxy)-N-propylspiro[3.5]nonan-1-amine
CID 82009209
3-(2,2-difluoroethoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 82009455
N-propyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine
CID 82783591
N-ethyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine
CID 82793593
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine
CID 82958075
N-propyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine
CID 82958845

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine (CID 65168043) is N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine is C=COCCCNC1CC(OCC)C12CCCCC2.
What is the InChIKey of N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is VBYWJNLPGQETNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-18-12-8-11-17-14-13-15(19-4-2)16(14)9-6-5-7-10-16/h3,14-15,17H,1,4-13H2,2H3.
What are the key properties of N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine?
N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 65168043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).