N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine

C12H24N2S — CID 63965430

IUPACN-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCSCCCN1CCC(CNC2CC2)C1
InChIInChI=1S/C12H24N2S/c1-15-8-2-6-14-7-5-11(10-14)9-13-12-3-4-12/h11-13H,2-10H2,1H3
InChIKeyRSWBBGFYPHXVMH-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.81
Rot. Bonds7

About N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 63965430) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID63965430
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCSCCCN1CCC(CNC2CC2)C1
InChIInChI=1S/C12H24N2S/c1-15-8-2-6-14-7-5-11(10-14)9-13-12-3-4-12/h11-13H,2-10H2,1H3
InChIKeyRSWBBGFYPHXVMH-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.81
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-(3-ethoxypropyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62511911
2-methyl-N-[[1-(5-methylsulfanylpentyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 114127667
3-(2-chloroethyl)-1-(3-methylsulfanylpropyl)pyrrolidine
CID 114800524
N-[[1-[2-(diethylamino)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513727
N-methyl-1-(3-methylsulfanylpropyl)piperidin-4-amine
CID 63965650
N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63964992
4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine
CID 79731283
N-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 113412895
N-[[1-[(4-methylcyclohexyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 63243855
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103180319
N-[[1-[2-(2-methylphenyl)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 79749734
N-[(1-methylpyrrolidin-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 60854888

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine (CID 63965430) is N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine is CSCCCN1CCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is RSWBBGFYPHXVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-15-8-2-6-14-7-5-11(10-14)9-13-12-3-4-12/h11-13H,2-10H2,1H3.
What are the key properties of N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 228.40 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63965430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).