N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine

C10H21NS — CID 115721359

IUPACN-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine
SMILESCSCCCNC(C)C1CCC1
InChIInChI=1S/C10H21NS/c1-9(10-5-3-6-10)11-7-4-8-12-2/h9-11H,3-8H2,1-2H3
InChIKeyPOMPOWDXJMPZRZ-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds6

About N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine

N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine (PubChem CID 115721359) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine
PubChem CID115721359
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine
SMILESCSCCCNC(C)C1CCC1
InChIInChI=1S/C10H21NS/c1-9(10-5-3-6-10)11-7-4-8-12-2/h9-11H,3-8H2,1-2H3
InChIKeyPOMPOWDXJMPZRZ-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
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-[(1S)-1-cyclopentylethyl]-3-methylsulfanylpropan-1-amine
CID 81385548
N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine
CID 81387495
(1S)-1-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine
CID 104863405
(1S)-1-cycloheptyl-N-(2-methylsulfanylethyl)ethanamine
CID 104580013
1-cyclopropyl-N-(2-methylsulfanylethyl)ethanamine
CID 60696328
3-(1-cyclobutylethylamino)propan-1-ol
CID 115705210
1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine
CID 115721395
N-(1-cyclopentylethyl)-3-fluoropropan-1-amine
CID 81106948
N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
CID 115706242
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
N-[(1S)-1-cyclohexylethyl]-3-fluoropropan-1-amine
CID 81384953
N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen
CID 177368161

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine (CID 115721359) is N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine is CSCCCNC(C)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine?
The InChIKey is POMPOWDXJMPZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-9(10-5-3-6-10)11-7-4-8-12-2/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine?
N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115721359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).