N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine

C11H25NOS — CID 107757036

IUPACN-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine
SMILESCCCCCSC(C)CNCCOC
InChIInChI=1S/C11H25NOS/c1-4-5-6-9-14-11(2)10-12-7-8-13-3/h11-12H,4-10H2,1-3H3
InChIKeyJKMFFJMJPRNGOW-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.53
Rot. Bonds10

About N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine

N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine (PubChem CID 107757036) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine
PubChem CID107757036
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC NameN-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine
SMILESCCCCCSC(C)CNCCOC
InChIInChI=1S/C11H25NOS/c1-4-5-6-9-14-11(2)10-12-7-8-13-3/h11-12H,4-10H2,1-3H3
InChIKeyJKMFFJMJPRNGOW-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-methylnonan-1-amine
CID 62725842
N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine
CID 63503515
N-(2-methoxyethyl)-2-(2-methylpropyl)hexan-1-amine
CID 62718637
2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
CID 63857263
N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 62577772
2-(3-methoxypropylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 63856526
N-(2-methoxyethyl)-2-propylhexan-1-amine
CID 62718810
ethane;N-(2-methoxyethyl)hexan-1-amine
CID 177359501
N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine
CID 62581365
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-pentylpropane-1,2-diamine
CID 62570007
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine
CID 55087956

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine (CID 107757036) is N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine is CCCCCSC(C)CNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine?
The InChIKey is JKMFFJMJPRNGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-4-5-6-9-14-11(2)10-12-7-8-13-3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine?
N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine has a molecular weight of 219.39 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine is sourced from PubChem (CID 107757036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).