3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine

C16H29NOS — CID 107269977

IUPAC3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCC2(SC)CC2)C12CCCCC2
InChIInChI=1S/C16H29NOS/c1-3-18-14-11-13(16(14)7-5-4-6-8-16)17-12-15(19-2)9-10-15/h13-14,17H,3-12H2,1-2H3
InChIKeyMVTSNQNBUVYWOJ-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.60
Rot. Bonds6

About 3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine

3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine (PubChem CID 107269977) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is 3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine
PubChem CID107269977
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC Name3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCC2(SC)CC2)C12CCCCC2
InChIInChI=1S/C16H29NOS/c1-3-18-14-11-13(16(14)7-5-4-6-8-16)17-12-15(19-2)9-10-15/h13-14,17H,3-12H2,1-2H3
InChIKeyMVTSNQNBUVYWOJ-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 103922024
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
CID 65168000
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-2-methylpropan-2-ol
CID 65169617
N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 115906347
N-(3-ethoxyspiro[3.4]octan-1-yl)-N',N'-diethylethane-1,2-diamine
CID 64862891
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]-3-ethylpentan-2-ol
CID 106284498
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine
CID 65169715

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine (CID 107269977) is 3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine is CCOC1CC(NCC2(SC)CC2)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine?
The InChIKey is MVTSNQNBUVYWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-3-18-14-11-13(16(14)7-5-4-6-8-16)17-12-15(19-2)9-10-15/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine?
3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine has a molecular weight of 283.48 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine is sourced from PubChem (CID 107269977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).