N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine

C14H27NOS — CID 79903596

IUPACN-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine
SMILESCSCC(C)CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C14H27NOS/c1-12(11-17-2)10-15-13-5-8-16-14(9-13)6-3-4-7-14/h12-13,15H,3-11H2,1-2H3
InChIKeyNTMXVHBGDYAKOH-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.07
Rot. Bonds5

About N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine

N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79903596) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID79903596
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine
SMILESCSCC(C)CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C14H27NOS/c1-12(11-17-2)10-15-13-5-8-16-14(9-13)6-3-4-7-14/h12-13,15H,3-11H2,1-2H3
InChIKeyNTMXVHBGDYAKOH-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 102905388
4-methyl-1-(6-oxaspiro[4.5]decan-9-ylamino)pentan-2-ol
CID 107152559
N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903465
N-(2-methoxypropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 102698037
N-(2-ethoxypropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 113477257
4-methyl-1-(5-oxaspiro[3.5]nonan-8-ylamino)pentan-2-ol
CID 107152735
N-(2-phenylpropyl)-6-oxaspiro[4.5]decan-9-amine
CID 104591426
N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903955
1-cyclopropyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)ethanol
CID 79903192
N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901598
N'-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79903260

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine (CID 79903596) is N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine is CSCC(C)CNC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is NTMXVHBGDYAKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-12(11-17-2)10-15-13-5-8-16-14(9-13)6-3-4-7-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine?
N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 257.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79903596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).