N-tert-butyl-4-propylsulfanylbutan-1-amine

C11H25NS — CID 3026563

IUPACN-tert-butyl-4-propylsulfanylbutan-1-amine
SMILESCCCSCCCCNC(C)(C)C
InChIInChI=1S/C11H25NS/c1-5-9-13-10-7-6-8-12-11(2,3)4/h12H,5-10H2,1-4H3
InChIKeyKKEYSUGDIIDBDG-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.30
Rot. Bonds7

About N-tert-butyl-4-propylsulfanylbutan-1-amine

N-tert-butyl-4-propylsulfanylbutan-1-amine (PubChem CID 3026563) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-tert-butyl-4-propylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-propylsulfanylbutan-1-amine
PubChem CID3026563
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-tert-butyl-4-propylsulfanylbutan-1-amine
SMILESCCCSCCCCNC(C)(C)C
InChIInChI=1S/C11H25NS/c1-5-9-13-10-7-6-8-12-11(2,3)4/h12H,5-10H2,1-4H3
InChIKeyKKEYSUGDIIDBDG-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.30
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

N-(2-butylsulfanylethyl)-2-methylpropan-2-amine
CID 61386344
N-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine
CID 62579056
N-tert-butyl-4-(3-methylbutylsulfanyl)butan-1-amine
CID 107757723
N-tert-butylnonadecan-1-amine
CID 87846739
N-propyl-4-propylsulfanylbutan-1-amine
CID 62578177
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
N-butyl-N'-tert-butyloctane-1,8-diamine
CID 159630261
1-propylsulfanylhexadecane
CID 19914808
N-butyl-N'-tert-butylpropane-1,3-diamine
CID 60669474
N-methyl-4-pentylsulfanylbutan-1-amine
CID 107757081
N-tert-butyl-N',N'-dibutylbutane-1,4-diamine
CID 62418469
1-bromo-4-propylsulfanylbutane
CID 43445847

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-propylsulfanylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-propylsulfanylbutan-1-amine (CID 3026563) is N-tert-butyl-4-propylsulfanylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-propylsulfanylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-propylsulfanylbutan-1-amine is CCCSCCCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-propylsulfanylbutan-1-amine?
The InChIKey is KKEYSUGDIIDBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-5-9-13-10-7-6-8-12-11(2,3)4/h12H,5-10H2,1-4H3.
What are the key properties of N-tert-butyl-4-propylsulfanylbutan-1-amine?
N-tert-butyl-4-propylsulfanylbutan-1-amine has a molecular weight of 203.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-propylsulfanylbutan-1-amine is sourced from PubChem (CID 3026563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).