N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine

C16H25NS — CID 104926345

IUPACN-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine
SMILESCSCCCCCNC1CC(c2ccccc2)C1
InChIInChI=1S/C16H25NS/c1-18-11-7-3-6-10-17-16-12-15(13-16)14-8-4-2-5-9-14/h2,4-5,8-9,15-17H,3,6-7,10-13H2,1H3
InChIKeyPMIAEIACOGUBKZ-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.06
Rot. Bonds8

About N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine

N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine (PubChem CID 104926345) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine
PubChem CID104926345
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine
SMILESCSCCCCCNC1CC(c2ccccc2)C1
InChIInChI=1S/C16H25NS/c1-18-11-7-3-6-10-17-16-12-15(13-16)14-8-4-2-5-9-14/h2,4-5,8-9,15-17H,3,6-7,10-13H2,1H3
InChIKeyPMIAEIACOGUBKZ-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-phenylcyclobutyl)amino]pentan-1-ol
CID 107303071
3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516339
N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine
CID 63981661
N-[2-[(3-phenylcyclobutyl)amino]ethyl]acetamide
CID 43632255
N-[3-(cyclopropylmethoxy)propyl]-3-phenylcyclobutan-1-amine
CID 43632261
3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
CID 63981363
3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine
CID 104926478
3-[(3-phenylcyclobutyl)amino]propanenitrile
CID 43632270
N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine
CID 55097698
3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
CID 60975909
N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide
CID 102676035
3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
CID 115566490

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine?
The IUPAC name of N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine (CID 104926345) is N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine.
What is the SMILES notation for N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine?
The canonical SMILES for N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine is CSCCCCCNC1CC(c2ccccc2)C1.
What is the InChIKey of N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine?
The InChIKey is PMIAEIACOGUBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-18-11-7-3-6-10-17-16-12-15(13-16)14-8-4-2-5-9-14/h2,4-5,8-9,15-17H,3,6-7,10-13H2,1H3.
What are the key properties of N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine?
N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 104926345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).