N'-(3-ethoxyspiro[3.5]nonan-1-yl)propane-1,3-diamine

C14H28N2O — CID 65168019

IUPACN'-(3-ethoxyspiro[3.5]nonan-1-yl)propane-1,3-diamine
SMILESCCOC1CC(NCCCN)C12CCCCC2
InChIInChI=1S/C14H28N2O/c1-2-17-13-11-12(16-10-6-9-15)14(13)7-4-3-5-8-14/h12-13,16H,2-11,15H2,1H3
InChIKeyNEZTVAFQEUMWLY-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.05
Rot. Bonds6

About N'-(3-ethoxyspiro[3.5]nonan-1-yl)propane-1,3-diamine

N'-(3-ethoxyspiro[3.5]nonan-1-yl)propane-1,3-diamine (PubChem CID 65168019) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N'-(3-ethoxyspiro[3.5]nonan-1-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-ethoxyspiro[3.5]nonan-1-yl)propane-1,3-diamine
PubChem CID65168019
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN'-(3-ethoxyspiro[3.5]nonan-1-yl)propane-1,3-diamine
SMILESCCOC1CC(NCCCN)C12CCCCC2
InChIInChI=1S/C14H28N2O/c1-2-17-13-11-12(16-10-6-9-15)14(13)7-4-3-5-8-14/h12-13,16H,2-11,15H2,1H3
InChIKeyNEZTVAFQEUMWLY-UHFFFAOYSA-N
XLogP2.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Ethoxyspiro(3.5)nonan-1-amine
CID 54595389
3-Ethoxyspiro(3.5)nonan-1-amine hydrochloride
CID 54595453
rac-(1R,3S)-3-ethoxy-N-methylspiro(3.4)octan-1-amine hydrochloride
CID 137951510
3-ethoxy-N-(3,3,3-trifluoropropyl)spiro[3.5]nonan-1-amine
CID 65169610
3-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-1-amine
CID 65169613
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-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
CID 66350971
N-ethyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine
CID 66356963
N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine
CID 66357164
N-propyl-3-(2,2,2-trifluoroethoxy)spiro[3.5]nonan-1-amine
CID 66359802

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxyspiro[3.5]nonan-1-yl)propane-1,3-diamine?
The IUPAC name of N'-(3-ethoxyspiro[3.5]nonan-1-yl)propane-1,3-diamine (CID 65168019) is N'-(3-ethoxyspiro[3.5]nonan-1-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-ethoxyspiro[3.5]nonan-1-yl)propane-1,3-diamine?
The canonical SMILES for N'-(3-ethoxyspiro[3.5]nonan-1-yl)propane-1,3-diamine is CCOC1CC(NCCCN)C12CCCCC2.
What is the InChIKey of N'-(3-ethoxyspiro[3.5]nonan-1-yl)propane-1,3-diamine?
The InChIKey is NEZTVAFQEUMWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-17-13-11-12(16-10-6-9-15)14(13)7-4-3-5-8-14/h12-13,16H,2-11,15H2,1H3.
What are the key properties of N'-(3-ethoxyspiro[3.5]nonan-1-yl)propane-1,3-diamine?
N'-(3-ethoxyspiro[3.5]nonan-1-yl)propane-1,3-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxyspiro[3.5]nonan-1-yl)propane-1,3-diamine is sourced from PubChem (CID 65168019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).