3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine

C17H25NS — CID 107269735

IUPAC3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine
SMILESCSC1(CNC2CC(c3cccc(C)c3)C2)CCC1
InChIInChI=1S/C17H25NS/c1-13-5-3-6-14(9-13)15-10-16(11-15)18-12-17(19-2)7-4-8-17/h3,5-6,9,15-16,18H,4,7-8,10-12H2,1-2H3
InChIKeyCHPJXFOBKBXUAQ-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.12
Rot. Bonds5

About 3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine

3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine (PubChem CID 107269735) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine
PubChem CID107269735
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine
SMILESCSC1(CNC2CC(c3cccc(C)c3)C2)CCC1
InChIInChI=1S/C17H25NS/c1-13-5-3-6-14(9-13)15-10-16(11-15)18-12-17(19-2)7-4-8-17/h3,5-6,9,15-16,18H,4,7-8,10-12H2,1-2H3
InChIKeyCHPJXFOBKBXUAQ-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530348
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266984
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229953
N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
CID 43633398
N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43634382
N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine
CID 43632705
3-(3-bromophenyl)-N-[(1-methylcyclopentyl)methyl]cyclobutan-1-amine
CID 63821467
N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine
CID 43633047
N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104528153

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine (CID 107269735) is 3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine is CSC1(CNC2CC(c3cccc(C)c3)C2)CCC1.
What is the InChIKey of 3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine?
The InChIKey is CHPJXFOBKBXUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-13-5-3-6-14(9-13)15-10-16(11-15)18-12-17(19-2)7-4-8-17/h3,5-6,9,15-16,18H,4,7-8,10-12H2,1-2H3.
What are the key properties of 3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine?
3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 107269735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).