N,N-diethyl-5-ethylsulfanylpentan-1-amine

C11H25NS — CID 154243338

IUPACN,N-diethyl-5-ethylsulfanylpentan-1-amine
SMILESCCSCCCCCN(CC)CC
InChIInChI=1S/C11H25NS/c1-4-12(5-2)10-8-7-9-11-13-6-3/h4-11H2,1-3H3
InChIKeyBZARFHFSZSPUEQ-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.25
Rot. Bonds9

About N,N-diethyl-5-ethylsulfanylpentan-1-amine

N,N-diethyl-5-ethylsulfanylpentan-1-amine (PubChem CID 154243338) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N,N-diethyl-5-ethylsulfanylpentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-5-ethylsulfanylpentan-1-amine
PubChem CID154243338
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN,N-diethyl-5-ethylsulfanylpentan-1-amine
SMILESCCSCCCCCN(CC)CC
InChIInChI=1S/C11H25NS/c1-4-12(5-2)10-8-7-9-11-13-6-3/h4-11H2,1-3H3
InChIKeyBZARFHFSZSPUEQ-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine
CID 154220966
1-ethylsulfanyltetradecane
CID 20788610
1-ethylsulfanyldodecane
CID 534448
2-[3-ethylsulfanylpropyl(pentyl)amino]ethanol
CID 115665553
2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide
CID 104863487
methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate
CID 115665504
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
N',N'-diethylnonane-1,9-diamine
CID 22055140
6-ethylsulfanylhexane-1-thiol
CID 23423869
7-ethylsulfanylheptan-1-amine
CID 153391280
6-(diethylamino)hexyl-ethyl-dimethylazanium
CID 123147852
5-chloro-N,N-diethylpentan-1-amine;hydrochloride
CID 86222829

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-ethylsulfanylpentan-1-amine?
The IUPAC name of N,N-diethyl-5-ethylsulfanylpentan-1-amine (CID 154243338) is N,N-diethyl-5-ethylsulfanylpentan-1-amine.
What is the SMILES notation for N,N-diethyl-5-ethylsulfanylpentan-1-amine?
The canonical SMILES for N,N-diethyl-5-ethylsulfanylpentan-1-amine is CCSCCCCCN(CC)CC.
What is the InChIKey of N,N-diethyl-5-ethylsulfanylpentan-1-amine?
The InChIKey is BZARFHFSZSPUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-4-12(5-2)10-8-7-9-11-13-6-3/h4-11H2,1-3H3.
What are the key properties of N,N-diethyl-5-ethylsulfanylpentan-1-amine?
N,N-diethyl-5-ethylsulfanylpentan-1-amine has a molecular weight of 203.39 g/mol, XLogP of 3.25, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-ethylsulfanylpentan-1-amine is sourced from PubChem (CID 154243338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).