N-ethyl-1-pentylsulfanylpentan-2-amine

C12H27NS — CID 107763051

IUPACN-ethyl-1-pentylsulfanylpentan-2-amine
SMILESCCCCCSCC(CCC)NCC
InChIInChI=1S/C12H27NS/c1-4-7-8-10-14-11-12(9-5-2)13-6-3/h12-13H,4-11H2,1-3H3
InChIKeyQSGISSDBOKTBGO-UHFFFAOYSA-N
MW217.42 g/mol
LogP3.69
Rot. Bonds10

About N-ethyl-1-pentylsulfanylpentan-2-amine

N-ethyl-1-pentylsulfanylpentan-2-amine (PubChem CID 107763051) has the molecular formula C12H27NS and a molecular weight of 217.42 g/mol. Its IUPAC name is N-ethyl-1-pentylsulfanylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-pentylsulfanylpentan-2-amine
PubChem CID107763051
Molecular FormulaC12H27NS
Molecular Weight217.42 g/mol
Exact Mass217.19
IUPAC NameN-ethyl-1-pentylsulfanylpentan-2-amine
SMILESCCCCCSCC(CCC)NCC
InChIInChI=1S/C12H27NS/c1-4-7-8-10-14-11-12(9-5-2)13-6-3/h12-13H,4-11H2,1-3H3
InChIKeyQSGISSDBOKTBGO-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.42
LogP ≤ 53.69
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-ethyl-1-propylsulfanyloctan-2-amine
CID 65128622
N-methyl-1-pentylsulfanylpentan-2-amine
CID 107763052
N-ethylhexadecan-4-amine
CID 63413885
N-propyl-1-propylsulfanylheptan-2-amine
CID 65129217
1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128629
1-tert-butylsulfanyl-N-ethylpentan-2-amine
CID 64613643
N-ethyldecan-5-amine
CID 79405026
N-ethyltetradecan-7-amine
CID 87847195
2-(ethylamino)nonan-1-ol
CID 61050713
2-(ethylamino)-4-octoxybutan-1-ol
CID 64811462
N-ethyl-6-pentoxyhexan-3-amine
CID 106800895
2-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 104755000

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pentylsulfanylpentan-2-amine?
The IUPAC name of N-ethyl-1-pentylsulfanylpentan-2-amine (CID 107763051) is N-ethyl-1-pentylsulfanylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-pentylsulfanylpentan-2-amine?
The canonical SMILES for N-ethyl-1-pentylsulfanylpentan-2-amine is CCCCCSCC(CCC)NCC.
What is the InChIKey of N-ethyl-1-pentylsulfanylpentan-2-amine?
The InChIKey is QSGISSDBOKTBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NS/c1-4-7-8-10-14-11-12(9-5-2)13-6-3/h12-13H,4-11H2,1-3H3.
What are the key properties of N-ethyl-1-pentylsulfanylpentan-2-amine?
N-ethyl-1-pentylsulfanylpentan-2-amine has a molecular weight of 217.42 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pentylsulfanylpentan-2-amine is sourced from PubChem (CID 107763051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).