1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine

C13H25NS — CID 107266985

IUPAC1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
SMILESCSC1(CNCC2CCCCC2)CCC1
InChIInChI=1S/C13H25NS/c1-15-13(8-5-9-13)11-14-10-12-6-3-2-4-7-12/h12,14H,2-11H2,1H3
InChIKeyWUVFHFBIYOFABJ-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.44
Rot. Bonds5

About 1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine

1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine (PubChem CID 107266985) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
PubChem CID107266985
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
SMILESCSC1(CNCC2CCCCC2)CCC1
InChIInChI=1S/C13H25NS/c1-15-13(8-5-9-13)11-14-10-12-6-3-2-4-7-12/h12,14H,2-11H2,1H3
InChIKeyWUVFHFBIYOFABJ-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(cyclohexylmethylamino)methyl]cyclopentan-1-ol
CID 65107001
1-cyclopentyl-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822365
1-cyclohexyl-3-[(1-methylsulfanylcyclopropyl)methyl]thiourea
CID 107265764
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine
CID 115455707
1-[(cyclopentylmethylamino)methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 115904294
4-ethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267028
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine
CID 115363404
4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267245
1-cyclopentyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
CID 63420585
ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate
CID 107299283
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine
CID 114757546
1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246539

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The IUPAC name of 1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine (CID 107266985) is 1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine is CSC1(CNCC2CCCCC2)CCC1.
What is the InChIKey of 1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
The InChIKey is WUVFHFBIYOFABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-15-13(8-5-9-13)11-14-10-12-6-3-2-4-7-12/h12,14H,2-11H2,1H3.
What are the key properties of 1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine?
1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine has a molecular weight of 227.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine is sourced from PubChem (CID 107266985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).