N-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine

C11H23NOS — CID 115721624

IUPACN-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine
SMILESCOCC(NCCCCSC)C1CC1
InChIInChI=1S/C11H23NOS/c1-13-9-11(10-5-6-10)12-7-3-4-8-14-2/h10-12H,3-9H2,1-2H3
InChIKeyOUAIINWYEYIEPO-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.14
Rot. Bonds9

About N-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine

N-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine (PubChem CID 115721624) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine
PubChem CID115721624
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine
SMILESCOCC(NCCCCSC)C1CC1
InChIInChI=1S/C11H23NOS/c1-13-9-11(10-5-6-10)12-7-3-4-8-14-2/h10-12H,3-9H2,1-2H3
InChIKeyOUAIINWYEYIEPO-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.14
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-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine
CID 104926339
N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine
CID 115716677
5-[(1-cyclopropyl-2-methoxyethyl)amino]-2-methylpentan-1-ol
CID 103905399
1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
CID 43180595
N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine
CID 104537240
1-cyclopropyl-N-(1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 115895248
N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine
CID 115718062
1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine
CID 115721395
1-chloro-3-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
CID 106180567
1-cyclopropyl-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717505
1-cyclopropyl-2-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]ethanamine
CID 114116027
N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104560815

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine?
The IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine (CID 115721624) is N-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine?
The canonical SMILES for N-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine is COCC(NCCCCSC)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine?
The InChIKey is OUAIINWYEYIEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-13-9-11(10-5-6-10)12-7-3-4-8-14-2/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine?
N-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine is sourced from PubChem (CID 115721624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).