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

C11H25NOS — CID 115705190

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

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

N-(3-methoxypropyl)-1-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 115705190) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID115705190
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC NameN-(3-methoxypropyl)-1-(2-methylpropylsulfanyl)propan-2-amine
SMILESCOCCCNC(C)CSCC(C)C
InChIInChI=1S/C11H25NOS/c1-10(2)8-14-9-11(3)12-6-5-7-13-4/h10-12H,5-9H2,1-4H3
InChIKeySUBQEFGFOAZPNT-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)-5-methylhexan-2-amine
CID 43205131
N-(3-methoxypropyl)-3-methylbutan-2-amine
CID 43205074
N-(3-methoxypropyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 62577772
N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine
CID 43206916
4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine
CID 103413141
N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-1-amine
CID 88856095
3-methoxy-N-(2-methylpropoxy)propan-1-amine
CID 82714387
N-(3-methoxypropyl)-3-methylpentan-2-amine
CID 43205167
3-ethyl-N-(3-methoxypropyl)pentan-2-amine
CID 63838999
N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine
CID 115705142
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine
CID 62577802

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of N-(3-methoxypropyl)-1-(2-methylpropylsulfanyl)propan-2-amine (CID 115705190) is N-(3-methoxypropyl)-1-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-(2-methylpropylsulfanyl)propan-2-amine is COCCCNC(C)CSCC(C)C.
What is the InChIKey of N-(3-methoxypropyl)-1-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is SUBQEFGFOAZPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-10(2)8-14-9-11(3)12-6-5-7-13-4/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-1-(2-methylpropylsulfanyl)propan-2-amine?
N-(3-methoxypropyl)-1-(2-methylpropylsulfanyl)propan-2-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)-1-(2-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 115705190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).