N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine

C11H25NOS — CID 62577772

IUPACN-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine
SMILESCOCCCNCC(C)SCC(C)C
InChIInChI=1S/C11H25NOS/c1-10(2)9-14-11(3)8-12-6-5-7-13-4/h10-12H,5-9H2,1-4H3
InChIKeyRVBODEOYEWGZLL-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.39
Rot. Bonds9

About N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine

N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine (PubChem CID 62577772) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine
PubChem CID62577772
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC NameN-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine
SMILESCOCCCNCC(C)SCC(C)C
InChIInChI=1S/C11H25NOS/c1-10(2)9-14-11(3)8-12-6-5-7-13-4/h10-12H,5-9H2,1-4H3
InChIKeyRVBODEOYEWGZLL-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.39
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-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine
CID 62581365
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
N-(2-methoxyethyl)-2-pentylsulfanylpropan-1-amine
CID 107757036
2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine
CID 65023754
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429
N-(3-methoxypropyl)-5-methylhexan-1-amine
CID 115325588
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
2-heptoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597976
N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine
CID 106513164
N-(3-methoxypropyl)-1-(2-methylpropylsulfanyl)propan-2-amine
CID 115705190
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine
CID 106926006

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine (CID 62577772) is N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine is COCCCNCC(C)SCC(C)C.
What is the InChIKey of N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine?
The InChIKey is RVBODEOYEWGZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-10(2)9-14-11(3)8-12-6-5-7-13-4/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine?
N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine has a molecular weight of 219.39 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine is sourced from PubChem (CID 62577772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).