N-methyl-N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine

C12H26N2S — CID 118585045

IUPACN-methyl-N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCSCCCN(C)CCCN1CCCC1
InChIInChI=1S/C12H26N2S/c1-13(8-6-12-15-2)7-5-11-14-9-3-4-10-14/h3-12H2,1-2H3
InChIKeyCCBCIDJEXPBITD-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.16
Rot. Bonds8

About N-methyl-N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine

N-methyl-N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 118585045) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is N-methyl-N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID118585045
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC NameN-methyl-N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESCSCCCN(C)CCCN1CCCC1
InChIInChI=1S/C12H26N2S/c1-13(8-6-12-15-2)7-5-11-14-9-3-4-10-14/h3-12H2,1-2H3
InChIKeyCCBCIDJEXPBITD-UHFFFAOYSA-N
XLogP2.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-methyl-N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine (CID 118585045) is N-methyl-N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-methyl-N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-methyl-N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine is CSCCCN(C)CCCN1CCCC1.
What is the InChIKey of N-methyl-N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is CCBCIDJEXPBITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-13(8-6-12-15-2)7-5-11-14-9-3-4-10-14/h3-12H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine?
N-methyl-N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 230.42 g/mol, XLogP of 2.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 118585045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).