N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine

C18H29NOS — CID 66351117

IUPACN-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
SMILESCCCNC1CC(OCc2cccs2)C12CCCCCC2
InChIInChI=1S/C18H29NOS/c1-2-11-19-16-13-17(20-14-15-8-7-12-21-15)18(16)9-5-3-4-6-10-18/h7-8,12,16-17,19H,2-6,9-11,13-14H2,1H3
InChIKeyFEEAVZGWQLLUSH-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.75
Rot. Bonds6

About N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine

N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine (PubChem CID 66351117) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
PubChem CID66351117
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC NameN-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
SMILESCCCNC1CC(OCc2cccs2)C12CCCCCC2
InChIInChI=1S/C18H29NOS/c1-2-11-19-16-13-17(20-14-15-8-7-12-21-15)18(16)9-5-3-4-6-10-18/h7-8,12,16-17,19H,2-6,9-11,13-14H2,1H3
InChIKeyFEEAVZGWQLLUSH-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
CID 66351553
3-ethoxy-N-(2-thiophen-2-ylethyl)spiro[3.5]nonan-1-amine
CID 65167746
3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
CID 66351552
3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine
CID 82807037
N-methyl-3-(2-thiophen-2-ylethoxy)spiro[3.6]decan-1-amine
CID 66350237
3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine
CID 81398155
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-ethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111756591
3-ethoxy-N-(1,3-thiazol-2-ylmethyl)spiro[3.5]nonan-1-amine
CID 65167786
3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine
CID 64864412
3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine
CID 66351177
3-ethoxy-N-octylspiro[3.4]octan-1-amine
CID 115567181
N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
CID 66350084

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine?
The IUPAC name of N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine (CID 66351117) is N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine.
What is the SMILES notation for N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine?
The canonical SMILES for N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine is CCCNC1CC(OCc2cccs2)C12CCCCCC2.
What is the InChIKey of N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine?
The InChIKey is FEEAVZGWQLLUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-2-11-19-16-13-17(20-14-15-8-7-12-21-15)18(16)9-5-3-4-6-10-18/h7-8,12,16-17,19H,2-6,9-11,13-14H2,1H3.
What are the key properties of N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine?
N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine has a molecular weight of 307.50 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine is sourced from PubChem (CID 66351117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).