N'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine

C17H28N2S — CID 107441748

IUPACN'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccccc1SC1CCCC1
InChIInChI=1S/C17H28N2S/c1-13(2)14(11-18)12-19-16-9-5-6-10-17(16)20-15-7-3-4-8-15/h5-6,9-10,13-15,19H,3-4,7-8,11-12,18H2,1-2H3
InChIKeyRUACPYDFBHGIOM-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.36
Rot. Bonds7

About N'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine

N'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441748) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441748
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccccc1SC1CCCC1
InChIInChI=1S/C17H28N2S/c1-13(2)14(11-18)12-19-16-9-5-6-10-17(16)20-15-7-3-4-8-15/h5-6,9-10,13-15,19H,3-4,7-8,11-12,18H2,1-2H3
InChIKeyRUACPYDFBHGIOM-UHFFFAOYSA-N
XLogP4.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine (CID 107441748) is N'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNc1ccccc1SC1CCCC1.
What is the InChIKey of N'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is RUACPYDFBHGIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-13(2)14(11-18)12-19-16-9-5-6-10-17(16)20-15-7-3-4-8-15/h5-6,9-10,13-15,19H,3-4,7-8,11-12,18H2,1-2H3.
What are the key properties of N'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine?
N'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 292.49 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).