N-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine

C9H18N2S — CID 54065759

IUPACN-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
SMILESCSCC1CNCC1NC1CC1
InChIInChI=1S/C9H18N2S/c1-12-6-7-4-10-5-9(7)11-8-2-3-8/h7-11H,2-6H2,1H3
InChIKeyFATWUZJMANPAFA-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.69
Rot. Bonds4

About N-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine

N-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine (PubChem CID 54065759) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
PubChem CID54065759
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
SMILESCSCC1CNCC1NC1CC1
InChIInChI=1S/C9H18N2S/c1-12-6-7-4-10-5-9(7)11-8-2-3-8/h7-11H,2-6H2,1H3
InChIKeyFATWUZJMANPAFA-UHFFFAOYSA-N
XLogP0.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine?
The IUPAC name of N-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine (CID 54065759) is N-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine?
The canonical SMILES for N-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine is CSCC1CNCC1NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine?
The InChIKey is FATWUZJMANPAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-12-6-7-4-10-5-9(7)11-8-2-3-8/h7-11H,2-6H2,1H3.
What are the key properties of N-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine?
N-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine has a molecular weight of 186.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 54065759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).