2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine

C14H27NOS — CID 79906009

IUPAC2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
SMILESCC(C)(N)CSC1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H27NOS/c1-13(2,15)11-17-12-6-9-16-14(10-12)7-4-3-5-8-14/h12H,3-11,15H2,1-2H3
InChIKeyBWMAXLXKRYPWEX-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.34
Rot. Bonds3

About 2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine

2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine (PubChem CID 79906009) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
PubChem CID79906009
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
SMILESCC(C)(N)CSC1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H27NOS/c1-13(2,15)11-17-12-6-9-16-14(10-12)7-4-3-5-8-14/h12H,3-11,15H2,1-2H3
InChIKeyBWMAXLXKRYPWEX-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-ylsulfanyl)propan-2-amine
CID 79906078
2-methyl-3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-1-ol
CID 79902946
2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912868
2-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)propan-1-amine
CID 79905570
methyl 2-methyl-3-(6-oxaspiro[4.5]decan-9-ylsulfanyl)propanoate
CID 79905208
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-amine
CID 79913092
1-(1,9-dioxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine
CID 79905784
3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one
CID 116608371
3-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)butanoic acid
CID 79904238
2-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfanyl)propan-1-amine
CID 79905930
2-amino-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116560117
N-(2-methylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897688

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine (CID 79906009) is 2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine is CC(C)(N)CSC1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine?
The InChIKey is BWMAXLXKRYPWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-13(2,15)11-17-12-6-9-16-14(10-12)7-4-3-5-8-14/h12H,3-11,15H2,1-2H3.
What are the key properties of 2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine?
2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine has a molecular weight of 257.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-oxaspiro[5.5]undecan-4-ylsulfanyl)propan-2-amine is sourced from PubChem (CID 79906009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).