N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine

C19H29NO — CID 66359016

IUPACN-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine
SMILESCCNC1CC(Oc2cccc(CC)c2)C12CCCCC2
InChIInChI=1S/C19H29NO/c1-3-15-9-8-10-16(13-15)21-18-14-17(20-4-2)19(18)11-6-5-7-12-19/h8-10,13,17-18,20H,3-7,11-12,14H2,1-2H3
InChIKeyJKGRYUCQFLBBRC-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.33
Rot. Bonds5

About N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine

N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine (PubChem CID 66359016) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine
PubChem CID66359016
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine
SMILESCCNC1CC(Oc2cccc(CC)c2)C12CCCCC2
InChIInChI=1S/C19H29NO/c1-3-15-9-8-10-16(13-15)21-18-14-17(20-4-2)19(18)11-6-5-7-12-19/h8-10,13,17-18,20H,3-7,11-12,14H2,1-2H3
InChIKeyJKGRYUCQFLBBRC-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine
CID 66357329
3-(3-ethylphenoxy)spiro[3.4]octan-1-amine
CID 66358408
N,2-diethyl-3-(3-ethylphenoxy)-2-methylcyclobutan-1-amine
CID 66358001
3-(4-chloro-3-ethylphenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66356846
N-ethyl-3-(4-methylphenoxy)spiro[3.4]octan-1-amine
CID 66359379
3-(4-chloro-3-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 82717774
3-(3-bromo-4-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 83238202
N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine
CID 107662355
N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine
CID 66357502
3-[(5-bromo-3-pyridinyl)oxy]-N-ethylspiro[3.4]octan-1-amine
CID 66350284
3-(5-chloro-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66350968
3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66350264

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine?
The IUPAC name of N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine (CID 66359016) is N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine?
The canonical SMILES for N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine is CCNC1CC(Oc2cccc(CC)c2)C12CCCCC2.
What is the InChIKey of N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine?
The InChIKey is JKGRYUCQFLBBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-15-9-8-10-16(13-15)21-18-14-17(20-4-2)19(18)11-6-5-7-12-19/h8-10,13,17-18,20H,3-7,11-12,14H2,1-2H3.
What are the key properties of N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine?
N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 66359016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).