[1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine

C17H25NS — CID 117441232

IUPAC[1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine
SMILESNCC1(c2ccc(SCC3CC3)cc2)CCCCC1
InChIInChI=1S/C17H25NS/c18-13-17(10-2-1-3-11-17)15-6-8-16(9-7-15)19-12-14-4-5-14/h6-9,14H,1-5,10-13,18H2
InChIKeyWTRRFPDOYOLZKU-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.35
Rot. Bonds5

About [1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine

[1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine (PubChem CID 117441232) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is [1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine
PubChem CID117441232
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name[1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine
SMILESNCC1(c2ccc(SCC3CC3)cc2)CCCCC1
InChIInChI=1S/C17H25NS/c18-13-17(10-2-1-3-11-17)15-6-8-16(9-7-15)19-12-14-4-5-14/h6-9,14H,1-5,10-13,18H2
InChIKeyWTRRFPDOYOLZKU-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine (CID 117441232) is [1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine is NCC1(c2ccc(SCC3CC3)cc2)CCCCC1.
What is the InChIKey of [1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine?
The InChIKey is WTRRFPDOYOLZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c18-13-17(10-2-1-3-11-17)15-6-8-16(9-7-15)19-12-14-4-5-14/h6-9,14H,1-5,10-13,18H2.
What are the key properties of [1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine?
[1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine has a molecular weight of 275.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 117441232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).