N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine

C12H23NOS — CID 104871503

IUPACN-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine
SMILESCOC1CC(NC2CCCC(SC)C2)C1
InChIInChI=1S/C12H23NOS/c1-14-11-6-10(7-11)13-9-4-3-5-12(8-9)15-2/h9-13H,3-8H2,1-2H3
InChIKeyYUKODBCRSQVTQR-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.43
Rot. Bonds4

About N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine

N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine (PubChem CID 104871503) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine
PubChem CID104871503
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine
SMILESCOC1CC(NC2CCCC(SC)C2)C1
InChIInChI=1S/C12H23NOS/c1-14-11-6-10(7-11)13-9-4-3-5-12(8-9)15-2/h9-13H,3-8H2,1-2H3
InChIKeyYUKODBCRSQVTQR-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethylsulfanyl-N-(3-methoxycyclobutyl)cyclopentan-1-amine
CID 104871846
N-(2-methylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115689388
1,5-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrrolidin-3-amine
CID 115721214
N-(3-methylsulfanylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847622
N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine
CID 115886375
N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115721250
2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol
CID 103952052
N-(3-methoxycyclobutyl)spiro[4.5]decan-8-amine
CID 114118865
3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine
CID 103921430
N-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 103784505
N-(3-methoxycyclopentyl)oxan-3-amine
CID 103082989
N-(3-methoxycyclobutyl)-1-methylpyrrolidin-3-amine
CID 104871437

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine (CID 104871503) is N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine is COC1CC(NC2CCCC(SC)C2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine?
The InChIKey is YUKODBCRSQVTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-14-11-6-10(7-11)13-9-4-3-5-12(8-9)15-2/h9-13H,3-8H2,1-2H3.
What are the key properties of N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine?
N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine has a molecular weight of 229.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-3-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 104871503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).