N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine

C8H19NOS — CID 62581365

IUPACN-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine
SMILESCOCCCNCC(C)SC
InChIInChI=1S/C8H19NOS/c1-8(11-3)7-9-5-4-6-10-2/h8-9H,4-7H2,1-3H3
InChIKeyKSEHOEVGJZNUGF-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.36
Rot. Bonds7

About N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine

N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine (PubChem CID 62581365) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine
PubChem CID62581365
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC NameN-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine
SMILESCOCCCNCC(C)SC
InChIInChI=1S/C8H19NOS/c1-8(11-3)7-9-5-4-6-10-2/h8-9H,4-7H2,1-3H3
InChIKeyKSEHOEVGJZNUGF-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.36
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-(2-methylpropylsulfanyl)propan-1-amine
CID 62577772
N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide
CID 115760932
2-methylsulfanyl-N-propylpropan-1-amine
CID 62581187
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine
CID 106452503
2-chloro-3-methoxy-N-(3-methoxypropyl)propan-1-amine
CID 65023754
N-(3-methoxypropyl)-2-propan-2-ylsulfonylpropan-1-amine
CID 106513164
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methoxypropyl)propan-1-amine
CID 106926006
1-(2-methoxyethoxy)-3-(2-methylsulfanylpropylamino)propan-2-ol
CID 106990485
1-(3-methoxypropyl)-3-(3-methylsulfanylbutyl)thiourea
CID 115604044
1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63966558
N-(3-methoxypropyl)-2-(3-methylphenyl)sulfanylpropan-1-amine
CID 55091998

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine (CID 62581365) is N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine is COCCCNCC(C)SC.
What is the InChIKey of N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine?
The InChIKey is KSEHOEVGJZNUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-8(11-3)7-9-5-4-6-10-2/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine?
N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine has a molecular weight of 177.31 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 62581365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).