1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine

C8H19NOS — CID 43180595

IUPAC1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
SMILESCOCC(C)NCCCSC
InChIInChI=1S/C8H19NOS/c1-8(7-10-2)9-5-4-6-11-3/h8-9H,4-7H2,1-3H3
InChIKeyOHLQBXINZSUXQR-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.36
Rot. Bonds7

About 1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine

1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine (PubChem CID 43180595) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
PubChem CID43180595
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
SMILESCOCC(C)NCCCSC
InChIInChI=1S/C8H19NOS/c1-8(7-10-2)9-5-4-6-11-3/h8-9H,4-7H2,1-3H3
InChIKeyOHLQBXINZSUXQR-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

1-chloro-3-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
CID 106180567
(2S)-4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine
CID 59084806
N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-1-amine
CID 88856095
4-methoxy-3-(3-methylsulfanylpropylamino)butan-1-ol
CID 106156471
N-(1-methoxypropan-2-yl)nonan-1-amine
CID 43129186
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine
CID 62577802
6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine
CID 107844567
methyl 2-methyl-4-(3-methylsulfanylpropylamino)pentanoate
CID 104646397
ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 142226149
1-methoxy-N-(2-propylsulfanylethyl)propan-2-amine
CID 62577131
N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine
CID 115663828

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine?
The IUPAC name of 1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine (CID 43180595) is 1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine?
The canonical SMILES for 1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine is COCC(C)NCCCSC.
What is the InChIKey of 1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine?
The InChIKey is OHLQBXINZSUXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-8(7-10-2)9-5-4-6-11-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine?
1-methoxy-N-(3-methylsulfanylpropyl)propan-2-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 1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine is sourced from PubChem (CID 43180595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).