N-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine

C15H25NS — CID 62585200

IUPACN-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine
SMILESCc1ccc(SCCCCNC(C)(C)C)cc1
InChIInChI=1S/C15H25NS/c1-13-7-9-14(10-8-13)17-12-6-5-11-16-15(2,3)4/h7-10,16H,5-6,11-12H2,1-4H3
InChIKeyDOQIOFYHQCMUJX-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.26
Rot. Bonds6

About N-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine

N-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine (PubChem CID 62585200) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine
PubChem CID62585200
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine
SMILESCc1ccc(SCCCCNC(C)(C)C)cc1
InChIInChI=1S/C15H25NS/c1-13-7-9-14(10-8-13)17-12-6-5-11-16-15(2,3)4/h7-10,16H,5-6,11-12H2,1-4H3
InChIKeyDOQIOFYHQCMUJX-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.26
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

2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine
CID 61386051
2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine
CID 61385906
1-(6-chlorohexylsulfanyl)-4-methylbenzene
CID 63499124
1-butylsulfanyl-4-methylbenzene;ethane
CID 145281456
1-methyl-4-(4-octylsulfanylphenyl)benzene
CID 70387614
1-methyl-4-[(E)-oct-6-enyl]sulfanylbenzene
CID 142802425
2-methyl-5-(4-methylphenyl)sulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64805318
N-tert-butyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
CID 62577258
1-[2-(tert-butylamino)ethyl]-3-[3-(4-fluorophenyl)sulfanylpropyl]-2-methylguanidine
CID 111765291
N-octyl-4-octylsulfanylaniline;hydrochloride
CID 45049675
N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine
CID 81023439
4-chloro-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 63517735

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine (CID 62585200) is N-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine is Cc1ccc(SCCCCNC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine?
The InChIKey is DOQIOFYHQCMUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-13-7-9-14(10-8-13)17-12-6-5-11-16-15(2,3)4/h7-10,16H,5-6,11-12H2,1-4H3.
What are the key properties of N-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine?
N-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine is sourced from PubChem (CID 62585200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).