3-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine

C15H24N2S — CID 115214298

IUPAC3-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine
SMILESCCSc1ccc(CCNCC2CC(N)C2)cc1
InChIInChI=1S/C15H24N2S/c1-2-18-15-5-3-12(4-6-15)7-8-17-11-13-9-14(16)10-13/h3-6,13-14,17H,2,7-11,16H2,1H3
InChIKeyHCULWMJILFVZCT-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.67
Rot. Bonds7

About 3-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine

3-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine (PubChem CID 115214298) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 3-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine
PubChem CID115214298
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name3-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine
SMILESCCSc1ccc(CCNCC2CC(N)C2)cc1
InChIInChI=1S/C15H24N2S/c1-2-18-15-5-3-12(4-6-15)7-8-17-11-13-9-14(16)10-13/h3-6,13-14,17H,2,7-11,16H2,1H3
InChIKeyHCULWMJILFVZCT-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214297
2-[2-(4-ethylsulfanylphenyl)ethylamino]acetonitrile
CID 115131259
3-[2-(4-ethylsulfanylphenyl)ethylamino]propanoic acid
CID 115005515
3-[2-(4-ethylsulfanylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115135480
1-amino-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 115192940
N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide
CID 110790666
methyl 3-[2-(4-ethylsulfanylphenyl)ethylamino]propanoate
CID 115232521
N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 110790662
1-N-[2-(4-ethylsulfanylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222457
4-[2-(4-ethylsulfanylphenyl)ethylamino]butanenitrile
CID 115231954
N-[2-(4-ethylsulfanylphenyl)ethyl]-2-oxopropanamide
CID 115175935
3-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214323

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine (CID 115214298) is 3-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine is CCSc1ccc(CCNCC2CC(N)C2)cc1.
What is the InChIKey of 3-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine?
The InChIKey is HCULWMJILFVZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-2-18-15-5-3-12(4-6-15)7-8-17-11-13-9-14(16)10-13/h3-6,13-14,17H,2,7-11,16H2,1H3.
What are the key properties of 3-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine?
3-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine has a molecular weight of 264.44 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).