1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine

C11H23NS — CID 115721395

IUPAC1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine
SMILESCSCCCNC(C(C)C)C1CC1
InChIInChI=1S/C11H23NS/c1-9(2)11(10-5-6-10)12-7-4-8-13-3/h9-12H,4-8H2,1-3H3
InChIKeyYLIAFXINCPSNAR-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.76
Rot. Bonds7

About 1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine

1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine (PubChem CID 115721395) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine
PubChem CID115721395
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine
SMILESCSCCCNC(C(C)C)C1CC1
InChIInChI=1S/C11H23NS/c1-9(2)11(10-5-6-10)12-7-4-8-13-3/h9-12H,4-8H2,1-3H3
InChIKeyYLIAFXINCPSNAR-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine
CID 115721359
N-[(1S)-1-cyclopentylethyl]-3-methylsulfanylpropan-1-amine
CID 81385548
N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine
CID 81387495
2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine
CID 115592628
N-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine
CID 115895750
1-cyclopropyl-2-methyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 104584711
1-cyclopropyl-N-(2-methylsulfanylethyl)ethanamine
CID 60696328
N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine
CID 104537240
1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine
CID 114978751
N-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine
CID 115721624
3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine
CID 115721446
N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine
CID 104926339

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine?
The IUPAC name of 1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine (CID 115721395) is 1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine?
The canonical SMILES for 1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine is CSCCCNC(C(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine?
The InChIKey is YLIAFXINCPSNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9(2)11(10-5-6-10)12-7-4-8-13-3/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine?
1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine is sourced from PubChem (CID 115721395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).