N-methyl-1-(1-propylsulfanylcyclobutyl)methanamine

C9H19NS — CID 117035008

IUPACN-methyl-1-(1-propylsulfanylcyclobutyl)methanamine
SMILESCCCSC1(CNC)CCC1
InChIInChI=1S/C9H19NS/c1-3-7-11-9(8-10-2)5-4-6-9/h10H,3-8H2,1-2H3
InChIKeyCAUCFWNYCPYHBM-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.27
Rot. Bonds5

About N-methyl-1-(1-propylsulfanylcyclobutyl)methanamine

N-methyl-1-(1-propylsulfanylcyclobutyl)methanamine (PubChem CID 117035008) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N-methyl-1-(1-propylsulfanylcyclobutyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-propylsulfanylcyclobutyl)methanamine
PubChem CID117035008
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN-methyl-1-(1-propylsulfanylcyclobutyl)methanamine
SMILESCCCSC1(CNC)CCC1
InChIInChI=1S/C9H19NS/c1-3-7-11-9(8-10-2)5-4-6-9/h10H,3-8H2,1-2H3
InChIKeyCAUCFWNYCPYHBM-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-propylsulfanylcyclobutyl)methanamine?
The IUPAC name of N-methyl-1-(1-propylsulfanylcyclobutyl)methanamine (CID 117035008) is N-methyl-1-(1-propylsulfanylcyclobutyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-propylsulfanylcyclobutyl)methanamine?
The canonical SMILES for N-methyl-1-(1-propylsulfanylcyclobutyl)methanamine is CCCSC1(CNC)CCC1.
What is the InChIKey of N-methyl-1-(1-propylsulfanylcyclobutyl)methanamine?
The InChIKey is CAUCFWNYCPYHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-7-11-9(8-10-2)5-4-6-9/h10H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-(1-propylsulfanylcyclobutyl)methanamine?
N-methyl-1-(1-propylsulfanylcyclobutyl)methanamine has a molecular weight of 173.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-propylsulfanylcyclobutyl)methanamine is sourced from PubChem (CID 117035008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).