N-(3-fluoropropyl)-2-methylsulfanylcyclohexan-1-amine

C10H20FNS — CID 103791785

IUPACN-(3-fluoropropyl)-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCCCF
InChIInChI=1S/C10H20FNS/c1-13-10-6-3-2-5-9(10)12-8-4-7-11/h9-10,12H,2-8H2,1H3
InChIKeyGLQGTZYSADAFNC-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.61
Rot. Bonds5

About N-(3-fluoropropyl)-2-methylsulfanylcyclohexan-1-amine

N-(3-fluoropropyl)-2-methylsulfanylcyclohexan-1-amine (PubChem CID 103791785) has the molecular formula C10H20FNS and a molecular weight of 205.34 g/mol. Its IUPAC name is N-(3-fluoropropyl)-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-2-methylsulfanylcyclohexan-1-amine
PubChem CID103791785
Molecular FormulaC10H20FNS
Molecular Weight205.34 g/mol
Exact Mass205.13
IUPAC NameN-(3-fluoropropyl)-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCCCF
InChIInChI=1S/C10H20FNS/c1-13-10-6-3-2-5-9(10)12-8-4-7-11/h9-10,12H,2-8H2,1H3
InChIKeyGLQGTZYSADAFNC-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.61
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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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-(3-fluoropropyl)-2-methylsulfanylcyclohexan-1-amine (CID 103791785) is N-(3-fluoropropyl)-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-(3-fluoropropyl)-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-(3-fluoropropyl)-2-methylsulfanylcyclohexan-1-amine is CSC1CCCCC1NCCCF.
What is the InChIKey of N-(3-fluoropropyl)-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is GLQGTZYSADAFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNS/c1-13-10-6-3-2-5-9(10)12-8-4-7-11/h9-10,12H,2-8H2,1H3.
What are the key properties of N-(3-fluoropropyl)-2-methylsulfanylcyclohexan-1-amine?
N-(3-fluoropropyl)-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 103791785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).