N-(3-methylsulfanylbutyl)cyclooctanamine

C13H27NS — CID 115716124

IUPACN-(3-methylsulfanylbutyl)cyclooctanamine
SMILESCSC(C)CCNC1CCCCCCC1
InChIInChI=1S/C13H27NS/c1-12(15-2)10-11-14-13-8-6-4-3-5-7-9-13/h12-14H,3-11H2,1-2H3
InChIKeyYTLSGFDPZFSPRZ-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.83
Rot. Bonds5

About N-(3-methylsulfanylbutyl)cyclooctanamine

N-(3-methylsulfanylbutyl)cyclooctanamine (PubChem CID 115716124) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is N-(3-methylsulfanylbutyl)cyclooctanamine.

Molecular Properties

Compound NameN-(3-methylsulfanylbutyl)cyclooctanamine
PubChem CID115716124
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC NameN-(3-methylsulfanylbutyl)cyclooctanamine
SMILESCSC(C)CCNC1CCCCCCC1
InChIInChI=1S/C13H27NS/c1-12(15-2)10-11-14-13-8-6-4-3-5-7-9-13/h12-14H,3-11H2,1-2H3
InChIKeyYTLSGFDPZFSPRZ-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine
CID 115653141
trans-(1R,2R)-2-(3-methylsulfanylbutylamino)cyclohexan-1-ol
CID 102731720
N-(3-chlorobutyl)cyclopentanamine
CID 82936490
N-(3-methylsulfanylbutyl)spiro[3.5]nonan-3-amine
CID 102952412
N-(2-propan-2-ylsulfanylethyl)cycloheptanamine
CID 62579320
azane;N-propylcyclohexanamine
CID 19368218
N-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride
CID 12779948
N-(7-methyloctyl)cyclooctanamine
CID 29032555
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
N-(3,5,5-trimethylhexyl)cyclopentanamine
CID 60984290
N-(3-methylsulfanylbutyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 115886299
N-(5-chloro-4-methylpentyl)cycloheptanamine
CID 106153204

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylbutyl)cyclooctanamine?
The IUPAC name of N-(3-methylsulfanylbutyl)cyclooctanamine (CID 115716124) is N-(3-methylsulfanylbutyl)cyclooctanamine.
What is the SMILES notation for N-(3-methylsulfanylbutyl)cyclooctanamine?
The canonical SMILES for N-(3-methylsulfanylbutyl)cyclooctanamine is CSC(C)CCNC1CCCCCCC1.
What is the InChIKey of N-(3-methylsulfanylbutyl)cyclooctanamine?
The InChIKey is YTLSGFDPZFSPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-12(15-2)10-11-14-13-8-6-4-3-5-7-9-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(3-methylsulfanylbutyl)cyclooctanamine?
N-(3-methylsulfanylbutyl)cyclooctanamine has a molecular weight of 229.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylbutyl)cyclooctanamine is sourced from PubChem (CID 115716124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).